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

C17H21N5 — CID 133346658

IUPAC4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCc2nc3ccccc3n2C)n1
InChIInChI=1S/C17H21N5/c1-12-11-13(2)20-17(19-12)18-10-6-9-16-21-14-7-4-5-8-15(14)22(16)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,19,20)
InChIKeyNZQYVHJEJDOWOI-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds5

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

4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine (PubChem CID 133346658) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
PubChem CID133346658
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCCc2nc3ccccc3n2C)n1
InChIInChI=1S/C17H21N5/c1-12-11-13(2)20-17(19-12)18-10-6-9-16-21-14-7-4-5-8-15(14)22(16)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,19,20)
InChIKeyNZQYVHJEJDOWOI-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
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

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-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine (CID 133346658) is 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCCc2nc3ccccc3n2C)n1.
What is the InChIKey of 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
The InChIKey is NZQYVHJEJDOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-11-13(2)20-17(19-12)18-10-6-9-16-21-14-7-4-5-8-15(14)22(16)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine?
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 133346658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).