2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine

C107H174N26O6 — CID 162250530

IUPAC2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(CC2CC(O)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCC3)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCCCC3)C2)ncn1.CC(C)(C)c1cc(NC2CNC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCC2)n1.CN(C)CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H28N4O.C16H29N5O.C16H24N4O.C15H26N4.C15H25N3O.C14H22N4O.C13H20N2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-9-13(10-14)17(23)22-7-5-4-6-8-22;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21(6)8-7-20(4)5;1-16(2,3)13-9-14(18-10-17-13)19-12-7-11(8-12)15(21)20-5-4-6-20;1-14(2,3)11-7-12(17-10-8-16-9-10)19-13(18-11)15(4,5)6;1-14(2,3)11-7-12(16-10-8-19-9-10)18-13(17-11)15(4,5)6;1-14(2,3)11-7-12(15-10-8-19-9-10)17-13(16-11)18-5-4-6-18;1-13(2,3)12-7-10(14-8-15-12)4-9-5-11(16)6-9/h11-14H,4-10H2,1-3H3,(H,19,20,21);9,12H,7-8,10-11H2,1-6H3,(H,17,18,19);9-12H,4-8H2,1-3H3,(H,17,18,19);7,10,16H,8-9H2,1-6H3,(H,17,18,19);7,10H,8-9H2,1-6H3,(H,16,17,18);7,10H,4-6,8-9H2,1-3H3,(H,15,16,17);7-9,11,16H,4-6H2,1-3H3
InChIKeyZXXSQLHAAPHZCP-UHFFFAOYSA-N
MW1920.74 g/mol
LogP15.98
Rot. Bonds21

About 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine

2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 162250530) has the molecular formula C107H174N26O6 and a molecular weight of 1920.74 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID162250530
Molecular FormulaC107H174N26O6
Molecular Weight1920.74 g/mol
Exact Mass1919.41
IUPAC Name2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(CC2CC(O)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCC3)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCCCC3)C2)ncn1.CC(C)(C)c1cc(NC2CNC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCC2)n1.CN(C)CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1
InChIInChI=1S/C18H28N4O.C16H29N5O.C16H24N4O.C15H26N4.C15H25N3O.C14H22N4O.C13H20N2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-9-13(10-14)17(23)22-7-5-4-6-8-22;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21(6)8-7-20(4)5;1-16(2,3)13-9-14(18-10-17-13)19-12-7-11(8-12)15(21)20-5-4-6-20;1-14(2,3)11-7-12(17-10-8-16-9-10)19-13(18-11)15(4,5)6;1-14(2,3)11-7-12(16-10-8-19-9-10)18-13(17-11)15(4,5)6;1-14(2,3)11-7-12(15-10-8-19-9-10)17-13(16-11)18-5-4-6-18;1-13(2,3)12-7-10(14-8-15-12)4-9-5-11(16)6-9/h11-14H,4-10H2,1-3H3,(H,19,20,21);9,12H,7-8,10-11H2,1-6H3,(H,17,18,19);9-12H,4-8H2,1-3H3,(H,17,18,19);7,10,16H,8-9H2,1-6H3,(H,17,18,19);7,10H,8-9H2,1-6H3,(H,16,17,18);7,10H,4-6,8-9H2,1-3H3,(H,15,16,17);7-9,11,16H,4-6H2,1-3H3
InChIKeyZXXSQLHAAPHZCP-UHFFFAOYSA-N
XLogP15.98
TPSA362.93 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001920.74
LogP ≤ 515.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine (CID 162250530) is 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine is CC(C)(C)c1cc(CC2CC(O)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCC3)C2)ncn1.CC(C)(C)c1cc(NC2CC(C(=O)N3CCCCC3)C2)ncn1.CC(C)(C)c1cc(NC2CNC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(C(C)(C)C)n1.CC(C)(C)c1cc(NC2COC2)nc(N2CCC2)n1.CN(C)CCN(C)c1nc(NC2COC2)cc(C(C)(C)C)n1.
What is the InChIKey of 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is ZXXSQLHAAPHZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.C16H29N5O.C16H24N4O.C15H26N4.C15H25N3O.C14H22N4O.C13H20N2O/c1-18(2,3)15-11-16(20-12-19-15)21-14-9-13(10-14)17(23)22-7-5-4-6-8-22;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21(6)8-7-20(4)5;1-16(2,3)13-9-14(18-10-17-13)19-12-7-11(8-12)15(21)20-5-4-6-20;1-14(2,3)11-7-12(17-10-8-16-9-10)19-13(18-11)15(4,5)6;1-14(2,3)11-7-12(16-10-8-19-9-10)18-13(17-11)15(4,5)6;1-14(2,3)11-7-12(15-10-8-19-9-10)17-13(16-11)18-5-4-6-18;1-13(2,3)12-7-10(14-8-15-12)4-9-5-11(16)6-9/h11-14H,4-10H2,1-3H3,(H,19,20,21);9,12H,7-8,10-11H2,1-6H3,(H,17,18,19);9-12H,4-8H2,1-3H3,(H,17,18,19);7,10,16H,8-9H2,1-6H3,(H,17,18,19);7,10H,8-9H2,1-6H3,(H,16,17,18);7,10H,4-6,8-9H2,1-3H3,(H,15,16,17);7-9,11,16H,4-6H2,1-3H3.
What are the key properties of 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine?
2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 1920.74 g/mol, XLogP of 15.98, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-tert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine;azetidin-1-yl-[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]methanone;N-(azetidin-3-yl)-2,6-ditert-butylpyrimidin-4-amine;6-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-(oxetan-3-yl)pyrimidine-2,4-diamine;[3-[(6-tert-butylpyrimidin-4-yl)amino]cyclobutyl]-piperidin-1-ylmethanone;3-[(6-tert-butylpyrimidin-4-yl)methyl]cyclobutan-1-ol;2,6-ditert-butyl-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 162250530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).