1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol

C15H27N3O — CID 86807821

IUPAC1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)14-16-12(15(4,5)6)8-13(17-14)18(7)9-11(3)19/h8,10-11,19H,9H2,1-7H3
InChIKeyHYPAHYDZTFTQHA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.71
Rot. Bonds4

About 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol

1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 86807821) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID86807821
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(C)(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H27N3O/c1-10(2)14-16-12(15(4,5)6)8-13(17-14)18(7)9-11(3)19/h8,10-11,19H,9H2,1-7H3
InChIKeyHYPAHYDZTFTQHA-UHFFFAOYSA-N
XLogP2.71
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80957681
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
1-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 62333913
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
6-tert-butyl-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 113380682
1-[[6-(ethylamino)-2-pyridinyl]-methylamino]propan-2-ol
CID 80827221
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 99857782
1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
CID 80652394
2-[2-hydroxypropyl(methyl)amino]-6-propylpyridine-4-carboxylic acid
CID 113380241

Frequently Asked Questions

What is the IUPAC name of 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 86807821) is 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1cc(C(C)(C)C)nc(C(C)C)n1.
What is the InChIKey of 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is HYPAHYDZTFTQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)14-16-12(15(4,5)6)8-13(17-14)18(7)9-11(3)19/h8,10-11,19H,9H2,1-7H3.
What are the key properties of 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-tert-butyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 86807821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).