[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

C16H24N6O — CID 133431923

IUPAC[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(Cc1nccn1C)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C16H24N6O/c1-20-7-5-17-16(20)10-21(2)14-8-15(19-12-18-14)22-6-3-4-13(9-22)11-23/h5,7-8,12-13,23H,3-4,6,9-11H2,1-2H3
InChIKeyBWHVTMJZLBXJPN-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.06
Rot. Bonds5

About [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133431923) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133431923
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(Cc1nccn1C)c1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C16H24N6O/c1-20-7-5-17-16(20)10-21(2)14-8-15(19-12-18-14)22-6-3-4-13(9-22)11-23/h5,7-8,12-13,23H,3-4,6,9-11H2,1-2H3
InChIKeyBWHVTMJZLBXJPN-UHFFFAOYSA-N
XLogP1.06
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
[1-[6-[methyl(2-methylprop-2-enyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133439246
[1-[6-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133463281
1-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 138996094
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
[1-[6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431078
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
[1-[6-[2-(2-fluorophenoxy)ethyl-methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 167944213
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
(3S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 95142756

Frequently Asked Questions

What is the IUPAC name of [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133431923) is [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is CN(Cc1nccn1C)c1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BWHVTMJZLBXJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-7-5-17-16(20)10-21(2)14-8-15(19-12-18-14)22-6-3-4-13(9-22)11-23/h5,7-8,12-13,23H,3-4,6,9-11H2,1-2H3.
What are the key properties of [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 316.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133431923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).