7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine

C15H18N4O — CID 89403812

IUPAC7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
SMILESC=C(N)c1ccc2cnc(NC3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O/c1-10(16)11-2-3-12-9-17-15(19-14(12)8-11)18-13-4-6-20-7-5-13/h2-3,8-9,13H,1,4-7,16H2,(H,17,18,19)
InChIKeyZGPLDTNVOGKDBQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.15
Rot. Bonds3

About 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine

7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine (PubChem CID 89403812) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
PubChem CID89403812
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine
SMILESC=C(N)c1ccc2cnc(NC3CCOCC3)nc2c1
InChIInChI=1S/C15H18N4O/c1-10(16)11-2-3-12-9-17-15(19-14(12)8-11)18-13-4-6-20-7-5-13/h2-3,8-9,13H,1,4-7,16H2,(H,17,18,19)
InChIKeyZGPLDTNVOGKDBQ-UHFFFAOYSA-N
XLogP2.15
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
7-[1-[[(S)-(4-chloro-3-fluorophenyl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methyl]amino]ethenyl]-N-(oxan-4-yl)quinazolin-2-amine
CID 118370180
2-[[(3S,4S)-3-fluorooxan-4-yl]amino]quinazoline-7-carboxylic acid
CID 71246766
2-(cyclohexylamino)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)quinazoline-7-carboxamide
CID 143569798
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
CID 58082159
2-[(4-hydroxycyclohexyl)amino]-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide
CID 58082640
3-[4-(difluoromethoxy)phenyl]-3-(1-methylpyrazol-4-yl)-1-[2-(oxan-4-ylamino)quinazolin-7-yl]propan-1-one
CID 158721596
N-[(S)-(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 71528855
2-(cyclopentylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinazoline-7-carboxamide
CID 58082418
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
N-[(S)-(5-chloro-4-methoxycyclohexa-1,5-dien-1-yl)-(1H-pyrazol-1-ium-4-yl)methyl]-2-(oxan-4-ylamino)quinazoline-7-carboxamide
CID 144524417
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine?
The IUPAC name of 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine (CID 89403812) is 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine.
What is the SMILES notation for 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine?
The canonical SMILES for 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine is C=C(N)c1ccc2cnc(NC3CCOCC3)nc2c1.
What is the InChIKey of 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine?
The InChIKey is ZGPLDTNVOGKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(16)11-2-3-12-9-17-15(19-14(12)8-11)18-13-4-6-20-7-5-13/h2-3,8-9,13H,1,4-7,16H2,(H,17,18,19).
What are the key properties of 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine?
7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethenyl)-N-(oxan-4-yl)quinazolin-2-amine is sourced from PubChem (CID 89403812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).