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

C10H18N4O — CID 80848543

IUPAC2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nccc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C10H18N4O/c1-10(2,15)7-14(4)8-5-6-12-9(11-3)13-8/h5-6,15H,7H2,1-4H3,(H,11,12,13)
InChIKeyUSKDSVIPNYMHRS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.73
Rot. Bonds4

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

2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80848543) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80848543
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1nccc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C10H18N4O/c1-10(2,15)7-14(4)8-5-6-12-9(11-3)13-8/h5-6,15H,7H2,1-4H3,(H,11,12,13)
InChIKeyUSKDSVIPNYMHRS-UHFFFAOYSA-N
XLogP0.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922992
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80795078
3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811129
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
1-[(6-fluoro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79386016
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785044
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80848543) is 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1nccc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is USKDSVIPNYMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,15)7-14(4)8-5-6-12-9(11-3)13-8/h5-6,15H,7H2,1-4H3,(H,11,12,13).
What are the key properties of 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80848543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).