2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

C13H24N4O — CID 80848388

IUPAC2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)(C)O)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-6-7-14-11-8-12(16-10(2)15-11)17(5)9-13(3,4)18/h8,18H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyTWCXWTCESDALJQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds6

About 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80848388) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80848388
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(N(C)CC(C)(C)O)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-6-7-14-11-8-12(16-10(2)15-11)17(5)9-13(3,4)18/h8,18H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyTWCXWTCESDALJQ-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[methyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80950546
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
N,2-dimethyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106918632
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 99980166
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
4-N-(1-cyclopropylethyl)-4-N,2-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80793618
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80958949
N-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]-propylamino]acetamide
CID 80806263
1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
CID 102718868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80848388) is 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is CCCNc1cc(N(C)CC(C)(C)O)nc(C)n1.
What is the InChIKey of 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is TWCXWTCESDALJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-14-11-8-12(16-10(2)15-11)17(5)9-13(3,4)18/h8,18H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of 2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.81, 6 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-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80848388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).