N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C20H26N6 — CID 133359380

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)C1
InChIInChI=1S/C20H26N6/c1-15-6-5-11-26(13-15)20-12-19(22-14-23-20)21-10-4-9-18-24-16-7-2-3-8-17(16)25-18/h2-3,7-8,12,14-15H,4-6,9-11,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNGTWUEAURGVQNK-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.63
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133359380) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133359380
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)C1
InChIInChI=1S/C20H26N6/c1-15-6-5-11-26(13-15)20-12-19(22-14-23-20)21-10-4-9-18-24-16-7-2-3-8-17(16)25-18/h2-3,7-8,12,14-15H,4-6,9-11,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyNGTWUEAURGVQNK-UHFFFAOYSA-N
XLogP3.63
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
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-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133465108
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133378629
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 72851412
1-[2-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50955735
4-[3-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]propyl]-1,4-benzoxazin-3-one
CID 133330739
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpyrimidin-4-amine
CID 134713026

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133359380) is N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2cc(NCCCc3nc4ccccc4[nH]3)ncn2)C1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NGTWUEAURGVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-15-6-5-11-26(13-15)20-12-19(22-14-23-20)21-10-4-9-18-24-16-7-2-3-8-17(16)25-18/h2-3,7-8,12,14-15H,4-6,9-11,13H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133359380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).