1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol

C13H24N4O — CID 80982737

IUPAC1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nc(C(C)C)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-15-12(14-5)10(4)13(16-11)17(6)7-9(3)18/h8-9,18H,7H2,1-6H3,(H,14,15,16)
InChIKeySMNLOVSIIKZHTI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds5

About 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol

1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80982737) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID80982737
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nc(C(C)C)nc(N(C)CC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-15-12(14-5)10(4)13(16-11)17(6)7-9(3)18/h8-9,18H,7H2,1-6H3,(H,14,15,16)
InChIKeySMNLOVSIIKZHTI-UHFFFAOYSA-N
XLogP1.77
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80983504
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998896
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381
3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80983753
2-ethyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80993377

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol (CID 80982737) is 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol is CNc1nc(C(C)C)nc(N(C)CC(C)O)c1C.
What is the InChIKey of 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is SMNLOVSIIKZHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)11-15-12(14-5)10(4)13(16-11)17(6)7-9(3)18/h8-9,18H,7H2,1-6H3,(H,14,15,16).
What are the key properties of 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80982737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).