1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

C9H16N4O — CID 80780223

IUPAC1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1ncc(C)c(NCC(C)O)n1
InChIInChI=1S/C9H16N4O/c1-6-4-12-9(10-3)13-8(6)11-5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyWZOSWUYYTPXLPQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.62
Rot. Bonds4

About 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80780223) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80780223
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1ncc(C)c(NCC(C)O)n1
InChIInChI=1S/C9H16N4O/c1-6-4-12-9(10-3)13-8(6)11-5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyWZOSWUYYTPXLPQ-UHFFFAOYSA-N
XLogP0.62
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296095
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800370
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
3-ethyl-1-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106289054

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80780223) is 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1ncc(C)c(NCC(C)O)n1.
What is the InChIKey of 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is WZOSWUYYTPXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-12-9(10-3)13-8(6)11-5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80780223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).