1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one

C18H18N6O — CID 72875537

IUPAC1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one
SMILESCc1nc(NCc2ccc3c(c2)n(C)c(=O)n3C)c2cccnc2n1
InChIInChI=1S/C18H18N6O/c1-11-21-16-13(5-4-8-19-16)17(22-11)20-10-12-6-7-14-15(9-12)24(3)18(25)23(14)2/h4-9H,10H2,1-3H3,(H,19,20,21,22)
InChIKeyDVQZMFHBHQMMTQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.14
Rot. Bonds3

About 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one

1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one (PubChem CID 72875537) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one
PubChem CID72875537
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one
SMILESCc1nc(NCc2ccc3c(c2)n(C)c(=O)n3C)c2cccnc2n1
InChIInChI=1S/C18H18N6O/c1-11-21-16-13(5-4-8-19-16)17(22-11)20-10-12-6-7-14-15(9-12)24(3)18(25)23(14)2/h4-9H,10H2,1-3H3,(H,19,20,21,22)
InChIKeyDVQZMFHBHQMMTQ-UHFFFAOYSA-N
XLogP2.14
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one with MolForge

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72931926
5-[[(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 56883067
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
1,3-dimethyl-5-[(pyrazin-2-ylamino)methyl]benzimidazol-2-one
CID 39841176
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 72932305
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72850857
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 72927889
1,3-dimethyl-5-[[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]benzimidazol-2-one
CID 95132562
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72940103
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 72914508
5-[(cyclopentylamino)methyl]-1,3-dimethylbenzimidazol-2-one;hydrochloride
CID 6472338

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one (CID 72875537) is 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one is Cc1nc(NCc2ccc3c(c2)n(C)c(=O)n3C)c2cccnc2n1.
What is the InChIKey of 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one?
The InChIKey is DVQZMFHBHQMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-21-16-13(5-4-8-19-16)17(22-11)20-10-12-6-7-14-15(9-12)24(3)18(25)23(14)2/h4-9H,10H2,1-3H3,(H,19,20,21,22).
What are the key properties of 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one?
1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]benzimidazol-2-one is sourced from PubChem (CID 72875537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).