N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine

C13H13N5O — CID 167947358

IUPACN-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine
SMILESCOc1cc(Nc2ccc3c(c2)ncn3C)ncn1
InChIInChI=1S/C13H13N5O/c1-18-8-16-10-5-9(3-4-11(10)18)17-12-6-13(19-2)15-7-14-12/h3-8H,1-2H3,(H,14,15,17)
InChIKeyLZASBRAPSQTSDK-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.12
Rot. Bonds3

About N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine

N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine (PubChem CID 167947358) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine
PubChem CID167947358
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine
SMILESCOc1cc(Nc2ccc3c(c2)ncn3C)ncn1
InChIInChI=1S/C13H13N5O/c1-18-8-16-10-5-9(3-4-11(10)18)17-12-6-13(19-2)15-7-14-12/h3-8H,1-2H3,(H,14,15,17)
InChIKeyLZASBRAPSQTSDK-UHFFFAOYSA-N
XLogP2.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine
CID 59373052
N-(4-bromo-2-pyridinyl)-6-methoxypyrimidin-4-amine
CID 163235584
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
(1-methylbenzimidazol-5-yl)urea
CID 12521213
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
CID 1417554
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
1,5-dimethylbenzimidazole;ethene
CID 145318091
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114263271
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
CID 115135155
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine (CID 167947358) is N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine is COc1cc(Nc2ccc3c(c2)ncn3C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine?
The InChIKey is LZASBRAPSQTSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-8-16-10-5-9(3-4-11(10)18)17-12-6-13(19-2)15-7-14-12/h3-8H,1-2H3,(H,14,15,17).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine?
N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine has a molecular weight of 255.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 167947358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).