N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

C15H17N5O — CID 133480310

IUPACN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2nc3cc(C)ccc3n2C)n1
InChIInChI=1S/C15H17N5O/c1-10-4-5-12-11(8-10)18-13(20(12)2)9-17-15-16-7-6-14(19-15)21-3/h4-8H,9H2,1-3H3,(H,16,17,19)
InChIKeyILGUKCPFBDUKPI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.29
Rot. Bonds4

About N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 133480310) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID133480310
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCc2nc3cc(C)ccc3n2C)n1
InChIInChI=1S/C15H17N5O/c1-10-4-5-12-11(8-10)18-13(20(12)2)9-17-15-16-7-6-14(19-15)21-3/h4-8H,9H2,1-3H3,(H,16,17,19)
InChIKeyILGUKCPFBDUKPI-UHFFFAOYSA-N
XLogP2.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
3-chloro-N-[(1,5-dimethylbenzimidazol-2-yl)methyl]aniline
CID 60835526
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 133380369
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 112670520
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133480272
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
4-methoxy-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
CID 78898230
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-5-nitroquinolin-8-amine
CID 133480324

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine (CID 133480310) is N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCc2nc3cc(C)ccc3n2C)n1.
What is the InChIKey of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is ILGUKCPFBDUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10-4-5-12-11(8-10)18-13(20(12)2)9-17-15-16-7-6-14(19-15)21-3/h4-8H,9H2,1-3H3,(H,16,17,19).
What are the key properties of N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine?
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133480310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).