6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine

C18H23N5 — CID 133461518

IUPAC6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCc1cc(NCCCc2nc3ccccc3n2C)nc(C)n1
InChIInChI=1S/C18H23N5/c1-4-14-12-17(21-13(2)20-14)19-11-7-10-18-22-15-8-5-6-9-16(15)23(18)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20,21)
InChIKeyPAXMWPKFLVCCIG-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.28
Rot. Bonds6

About 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 133461518) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID133461518
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCc1cc(NCCCc2nc3ccccc3n2C)nc(C)n1
InChIInChI=1S/C18H23N5/c1-4-14-12-17(21-13(2)20-14)19-11-7-10-18-22-15-8-5-6-9-16(15)23(18)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20,21)
InChIKeyPAXMWPKFLVCCIG-UHFFFAOYSA-N
XLogP3.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760
N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 75424817
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133346670
2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80939043
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine (CID 133461518) is 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine is CCc1cc(NCCCc2nc3ccccc3n2C)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is PAXMWPKFLVCCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-4-14-12-17(21-13(2)20-14)19-11-7-10-18-22-15-8-5-6-9-16(15)23(18)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 133461518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).