6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile

C14H10N4O3 — CID 139230254

IUPAC6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile
SMILESN#CC1=C(N)NC(=O)NC1c1coc2ccccc2c1=O
InChIInChI=1S/C14H10N4O3/c15-5-8-11(17-14(20)18-13(8)16)9-6-21-10-4-2-1-3-7(10)12(9)19/h1-4,6,11H,16H2,(H2,17,18,20)
InChIKeyYGCBAIHXSJHARI-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.84
Rot. Bonds1

About 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile

6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile (PubChem CID 139230254) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile
PubChem CID139230254
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile
SMILESN#CC1=C(N)NC(=O)NC1c1coc2ccccc2c1=O
InChIInChI=1S/C14H10N4O3/c15-5-8-11(17-14(20)18-13(8)16)9-6-21-10-4-2-1-3-7(10)12(9)19/h1-4,6,11H,16H2,(H2,17,18,20)
InChIKeyYGCBAIHXSJHARI-UHFFFAOYSA-N
XLogP0.84
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-5-amino-3-(4-methylbenzoyl)-2-(4-oxochromen-3-yl)-2,3-dihydrofuran-4-carbonitrile
CID 162368720
4-(1-benzofuran-3-yl)-2-oxoimidazolidine-1-carbonitrile
CID 116980096
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
CID 164686100
(2S,3R)-5-amino-3-(4-bromobenzoyl)-2-(6-chloro-4-oxochromen-3-yl)-2,3-dihydrofuran-4-carbonitrile
CID 162368733
3-[(13R)-15-amino-4,8-dioxa-12,14,16,18-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,14,17-pentaen-13-yl]chromen-4-one
CID 136820375
(6S)-9,9-dimethyl-6-(4-oxochromen-3-yl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
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2-(1-benzofuran-3-yl)cyclohexan-1-one
CID 141104591
[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1084640
1-(2-aminoethyl)-4-(1-benzofuran-3-yl)imidazolidin-2-one
CID 116978219
3-(2-aminoethyl)chromen-4-one
CID 55212083
3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
CID 102496487
ethyl 6-methyl-2-oxo-4-(4-oxo-6-phenylchromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 54583890

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile (CID 139230254) is 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile is N#CC1=C(N)NC(=O)NC1c1coc2ccccc2c1=O.
What is the InChIKey of 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile?
The InChIKey is YGCBAIHXSJHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-5-8-11(17-14(20)18-13(8)16)9-6-21-10-4-2-1-3-7(10)12(9)19/h1-4,6,11H,16H2,(H2,17,18,20).
What are the key properties of 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile?
6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile has a molecular weight of 282.26 g/mol, XLogP of 0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-oxo-4-(4-oxochromen-3-yl)-3,4-dihydro-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 139230254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).