5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one

C13H13N5O — CID 116892348

IUPAC5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)nc(CN)n1
InChIInChI=1S/C13H13N5O/c1-7-4-10(16-12(6-14)15-7)8-2-3-9-11(5-8)18-13(19)17-9/h2-5H,6,14H2,1H3,(H2,17,18,19)
InChIKeyFJLQVPSEWRSFNZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.08
Rot. Bonds2

About 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116892348) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116892348
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)nc(CN)n1
InChIInChI=1S/C13H13N5O/c1-7-4-10(16-12(6-14)15-7)8-2-3-9-11(5-8)18-13(19)17-9/h2-5H,6,14H2,1H3,(H2,17,18,19)
InChIKeyFJLQVPSEWRSFNZ-UHFFFAOYSA-N
XLogP1.08
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116893854
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
5-(2-ethyl-6-methylpyrimidin-4-yl)-1H-indole
CID 56720516
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrimidine-2-carboxamide
CID 116904054
5-[6-(ethylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 116973198
5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116891819
5-[6-(2,2-dimethylpropylamino)pyridazin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 53496350
5-[2-(2-aminoethyl)-5-bromo-1H-imidazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 84604711
5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one (CID 116892348) is 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(-c2ccc3[nH]c(=O)[nH]c3c2)nc(CN)n1.
What is the InChIKey of 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FJLQVPSEWRSFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-4-10(16-12(6-14)15-7)8-2-3-9-11(5-8)18-13(19)17-9/h2-5H,6,14H2,1H3,(H2,17,18,19).
What are the key properties of 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-6-methylpyrimidin-4-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116892348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).