N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine

C15H17N5 — CID 134713026

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5/c1-11-16-10-8-14(18-11)17-9-4-7-15-19-12-5-2-3-6-13(12)20-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyBSVRFNIACNGMAH-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine (PubChem CID 134713026) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
PubChem CID134713026
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H17N5/c1-11-16-10-8-14(18-11)17-9-4-7-15-19-12-5-2-3-6-13(12)20-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyBSVRFNIACNGMAH-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[3-(1H-benzimidazol-2-yl)propyl]-6-chloropyrazin-2-amine
CID 133359322
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 71923671
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
2-docosyl-1H-benzimidazole
CID 141189761
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111123901
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine (CID 134713026) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCCCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine?
The InChIKey is BSVRFNIACNGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-16-10-8-14(18-11)17-9-4-7-15-19-12-5-2-3-6-13(12)20-15/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 134713026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).