N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine

C15H17N5 — CID 135109990

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCn1c(CNc2ccnc(C)n2)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-20-13-7-5-4-6-12(13)19-15(20)10-17-14-8-9-16-11(2)18-14/h4-9H,3,10H2,1-2H3,(H,16,17,18)
InChIKeyLMXCSFAWVSENFG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.77
Rot. Bonds4

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 135109990) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID135109990
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCn1c(CNc2ccnc(C)n2)nc2ccccc21
InChIInChI=1S/C15H17N5/c1-3-20-13-7-5-4-6-12(13)19-15(20)10-17-14-8-9-16-11(2)18-14/h4-9H,3,10H2,1-2H3,(H,16,17,18)
InChIKeyLMXCSFAWVSENFG-UHFFFAOYSA-N
XLogP2.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
2-(1-ethylbenzimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527844
2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 133304089
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
(1-ethylbenzimidazol-2-yl)methylazanium chloride
CID 139581059
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 60980527

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine (CID 135109990) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine is CCn1c(CNc2ccnc(C)n2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is LMXCSFAWVSENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-20-13-7-5-4-6-12(13)19-15(20)10-17-14-8-9-16-11(2)18-14/h4-9H,3,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 135109990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).