N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine

C11H15N5 — CID 62960707

IUPACN-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCn2ccnc2)n1
InChIInChI=1S/C11H15N5/c1-10-3-5-14-11(15-10)13-4-2-7-16-8-6-12-9-16/h3,5-6,8-9H,2,4,7H2,1H3,(H,13,14,15)
InChIKeyWOOQJDDVUVIQBQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.48
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine

N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine (PubChem CID 62960707) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
PubChem CID62960707
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCn2ccnc2)n1
InChIInChI=1S/C11H15N5/c1-10-3-5-14-11(15-10)13-4-2-7-16-8-6-12-9-16/h3,5-6,8-9H,2,4,7H2,1H3,(H,13,14,15)
InChIKeyWOOQJDDVUVIQBQ-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.48
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

2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
1-[2-(3-imidazol-1-ylpropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 72892657
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
N-(3-imidazol-1-ylpropyl)-5-methyl-1,6-naphthyridin-2-amine
CID 154338498
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368
2-(4-imidazol-1-ylbutylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544221

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine (CID 62960707) is N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCCCn2ccnc2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine?
The InChIKey is WOOQJDDVUVIQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-10-3-5-14-11(15-10)13-4-2-7-16-8-6-12-9-16/h3,5-6,8-9H,2,4,7H2,1H3,(H,13,14,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine?
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62960707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).