4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine

C14H16N6 — CID 65337116

IUPAC4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
SMILESCC(Cn1ccnc1)Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H16N6/c1-10(7-20-5-4-16-9-20)19-14-12-3-2-11(15)6-13(12)17-8-18-14/h2-6,8-10H,7,15H2,1H3,(H,17,18,19)
InChIKeyJKWYTPOXFFLBFP-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.91
Rot. Bonds4

About 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine

4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine (PubChem CID 65337116) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
PubChem CID65337116
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
SMILESCC(Cn1ccnc1)Nc1ncnc2cc(N)ccc12
InChIInChI=1S/C14H16N6/c1-10(7-20-5-4-16-9-20)19-14-12-3-2-11(15)6-13(12)17-8-18-14/h2-6,8-10H,7,15H2,1H3,(H,17,18,19)
InChIKeyJKWYTPOXFFLBFP-UHFFFAOYSA-N
XLogP1.91
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
CID 65337213
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216
N-(1-imidazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731094

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine (CID 65337116) is 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine is CC(Cn1ccnc1)Nc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine?
The InChIKey is JKWYTPOXFFLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10(7-20-5-4-16-9-20)19-14-12-3-2-11(15)6-13(12)17-8-18-14/h2-6,8-10H,7,15H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine?
4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine has a molecular weight of 268.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine is sourced from PubChem (CID 65337116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).