N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine

C15H17N5 — CID 75483061

IUPACN-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
SMILESCc1cccc2c(NCCCn3ccnc3)ncnc12
InChIInChI=1S/C15H17N5/c1-12-4-2-5-13-14(12)18-10-19-15(13)17-6-3-8-20-9-7-16-11-20/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,18,19)
InChIKeyKJKFBOOLLXFFNC-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.64
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine

N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine (PubChem CID 75483061) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
PubChem CID75483061
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
SMILESCc1cccc2c(NCCCn3ccnc3)ncnc12
InChIInChI=1S/C15H17N5/c1-12-4-2-5-13-14(12)18-10-19-15(13)17-6-3-8-20-9-7-16-11-20/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,18,19)
InChIKeyKJKFBOOLLXFFNC-UHFFFAOYSA-N
XLogP2.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.64
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-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
CID 56730368
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine (CID 75483061) is N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine is Cc1cccc2c(NCCCn3ccnc3)ncnc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine?
The InChIKey is KJKFBOOLLXFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-12-4-2-5-13-14(12)18-10-19-15(13)17-6-3-8-20-9-7-16-11-20/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine?
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.64, 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)-8-methylquinazolin-4-amine is sourced from PubChem (CID 75483061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).