3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

C15H26N4O — CID 80958635

IUPAC3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-16-12-9-13(17-10-7-11(20)8-10)19-14(18-12)15(2,3)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCSUNFTIKLJMAKR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds5

About 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 80958635) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID80958635
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCCNc1cc(NC2CC(O)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-6-16-12-9-13(17-10-7-11(20)8-10)19-14(18-12)15(2,3)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyCSUNFTIKLJMAKR-UHFFFAOYSA-N
XLogP2.53
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856635
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959795
4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179363

Frequently Asked Questions

What is the IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol (CID 80958635) is 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is CCCNc1cc(NC2CC(O)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is CSUNFTIKLJMAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-16-12-9-13(17-10-7-11(20)8-10)19-14(18-12)15(2,3)4/h9-11,20H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80958635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).