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

C12H17N5O — CID 114219897

IUPAC[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H17N5O/c1-9-6-10(8-18)15-12(14-9)17(3)7-11-13-4-5-16(11)2/h4-6,18H,7-8H2,1-3H3
InChIKeyBFNCLDVTSQKGMQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.65
Rot. Bonds4

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

[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol (PubChem CID 114219897) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
PubChem CID114219897
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H17N5O/c1-9-6-10(8-18)15-12(14-9)17(3)7-11-13-4-5-16(11)2/h4-6,18H,7-8H2,1-3H3
InChIKeyBFNCLDVTSQKGMQ-UHFFFAOYSA-N
XLogP0.65
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
[6-methyl-2-[methyl(propan-2-yl)amino]pyrimidin-4-yl]methanol
CID 130485751
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547407
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
CID 133432083
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811135
N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol?
The IUPAC name of [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol (CID 114219897) is [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol is Cc1cc(CO)nc(N(C)Cc2nccn2C)n1.
What is the InChIKey of [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol?
The InChIKey is BFNCLDVTSQKGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-6-10(8-18)15-12(14-9)17(3)7-11-13-4-5-16(11)2/h4-6,18H,7-8H2,1-3H3.
What are the key properties of [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol?
[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 114219897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).