2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

C16H19N5 — CID 63638962

IUPAC2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2nc3ccccc3[nH]2)nc(C)c1C
InChIInChI=1S/C16H19N5/c1-4-17-16-10(2)11(3)18-14(21-16)9-15-19-12-7-5-6-8-13(12)20-15/h5-8H,4,9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeySXRLDXQJOBQCIC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.99
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 63638962) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID63638962
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2nc3ccccc3[nH]2)nc(C)c1C
InChIInChI=1S/C16H19N5/c1-4-17-16-10(2)11(3)18-14(21-16)9-15-19-12-7-5-6-8-13(12)20-15/h5-8H,4,9H2,1-3H3,(H,19,20)(H,17,18,21)
InChIKeySXRLDXQJOBQCIC-UHFFFAOYSA-N
XLogP2.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63639635
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62830547
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637567
2-[3-(1H-benzimidazol-2-yl)propoxy]-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 56949460
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-(1H-benzimidazol-2-ylmethyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192982
[2-(1H-benzimidazol-2-ylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 63639636
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(1H-benzimidazol-2-ylmethyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478147
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 63638962) is 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(Cc2nc3ccccc3[nH]2)nc(C)c1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is SXRLDXQJOBQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-4-17-16-10(2)11(3)18-14(21-16)9-15-19-12-7-5-6-8-13(12)20-15/h5-8H,4,9H2,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63638962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).