2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine

C16H19N5 — CID 80939043

IUPAC2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2nc3ccccc3n2C)cc(NC)n1
InChIInChI=1S/C16H19N5/c1-4-14-18-11(9-15(17-2)20-14)10-16-19-12-7-5-6-8-13(12)21(16)3/h5-9H,4,10H2,1-3H3,(H,17,18,20)
InChIKeyBOZWYWOFAMYSEQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.56
Rot. Bonds4

About 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine

2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80939043) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80939043
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2nc3ccccc3n2C)cc(NC)n1
InChIInChI=1S/C16H19N5/c1-4-14-18-11(9-15(17-2)20-14)10-16-19-12-7-5-6-8-13(12)21(16)3/h5-9H,4,10H2,1-3H3,(H,17,18,20)
InChIKeyBOZWYWOFAMYSEQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
CID 79754810
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754305
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine (CID 80939043) is 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine is CCc1nc(Cc2nc3ccccc3n2C)cc(NC)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is BOZWYWOFAMYSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-14-18-11(9-15(17-2)20-14)10-16-19-12-7-5-6-8-13(12)21(16)3/h5-9H,4,10H2,1-3H3,(H,17,18,20).
What are the key properties of 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine?
2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80939043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).