2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine

C16H18N4O — CID 175905688

IUPAC2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
SMILESNC1(C2CC2)N/C(=N/Cc2ccco2)c2ccccc2N1
InChIInChI=1S/C16H18N4O/c17-16(11-7-8-11)19-14-6-2-1-5-13(14)15(20-16)18-10-12-4-3-9-21-12/h1-6,9,11,19H,7-8,10,17H2,(H,18,20)
InChIKeyDMVBJYSUNOTYDF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.26
Rot. Bonds3

About 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine

2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine (PubChem CID 175905688) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
PubChem CID175905688
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
SMILESNC1(C2CC2)N/C(=N/Cc2ccco2)c2ccccc2N1
InChIInChI=1S/C16H18N4O/c17-16(11-7-8-11)19-14-6-2-1-5-13(14)15(20-16)18-10-12-4-3-9-21-12/h1-6,9,11,19H,7-8,10,17H2,(H,18,20)
InChIKeyDMVBJYSUNOTYDF-UHFFFAOYSA-N
XLogP2.26
TPSA75.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-ylmethyl)-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905803
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
CID 135983993
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779725
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
CID 21317040
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine
CID 135815390
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735953
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
N-(furan-2-ylmethyl)-5-(2-methylphenyl)-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 155256392
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine?
The IUPAC name of 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine (CID 175905688) is 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine.
What is the SMILES notation for 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine?
The canonical SMILES for 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine is NC1(C2CC2)N/C(=N/Cc2ccco2)c2ccccc2N1.
What is the InChIKey of 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine?
The InChIKey is DMVBJYSUNOTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-16(11-7-8-11)19-14-6-2-1-5-13(14)15(20-16)18-10-12-4-3-9-21-12/h1-6,9,11,19H,7-8,10,17H2,(H,18,20).
What are the key properties of 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine?
2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine is sourced from PubChem (CID 175905688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).