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

C13H22N4O — CID 86818325

IUPAC1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-11(18)9-16(2)12-8-13(15-10-14-12)17-6-4-3-5-7-17/h8,10-11,18H,3-7,9H2,1-2H3
InChIKeyGOEFMOIDNZIUIR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.28
Rot. Bonds4

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

1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 86818325) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID86818325
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(O)CN(C)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-11(18)9-16(2)12-8-13(15-10-14-12)17-6-4-3-5-7-17/h8,10-11,18H,3-7,9H2,1-2H3
InChIKeyGOEFMOIDNZIUIR-UHFFFAOYSA-N
XLogP1.28
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
CID 115265287
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 131897235
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464720
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
CID 121206050
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 144865603
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (CID 86818325) is 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is CC(O)CN(C)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is GOEFMOIDNZIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(18)9-16(2)12-8-13(15-10-14-12)17-6-4-3-5-7-17/h8,10-11,18H,3-7,9H2,1-2H3.
What are the key properties of 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 250.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 86818325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).