7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

C14H10N4O4 — CID 4632044

IUPAC7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C14H10N4O4/c15-5-8-9(6-2-1-3-7(19)4-6)10-12(20)17-14(21)18-13(10)22-11(8)16/h1-4,9,19H,16H2,(H2,17,18,20,21)
InChIKeyYSUVKQXJKVKSQO-UHFFFAOYSA-N
MW298.26 g/mol
LogP-0.01
Rot. Bonds1

About 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 4632044) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID4632044
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccc(O)c1
InChIInChI=1S/C14H10N4O4/c15-5-8-9(6-2-1-3-7(19)4-6)10-12(20)17-14(21)18-13(10)22-11(8)16/h1-4,9,19H,16H2,(H2,17,18,20,21)
InChIKeyYSUVKQXJKVKSQO-UHFFFAOYSA-N
XLogP-0.01
TPSA144.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-Amino-5-(4-hydroxyphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2h-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 137742319
7-Amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 4631551
7-amino-5-(3,4-dimethoxyphenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 5132532
5-(3-hydroxyphenyl)-1,3-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4,7(1H,3H,6H)-trione
CID 15989897
7-amino-5-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 129849006
7-Amino-5-(2-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 137742382
5-(4-hydroxyphenyl)-5,6-dihydro-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 171342372
N-[6-cyano-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidin-7-yl]acetamide
CID 171353361
(E)-4-[[6-cyano-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidin-7-yl]amino]-4-oxobut-2-enoic acid
CID 171357732
5-(3-Hydroxyphenyl)-2,4,7-trioxo-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 497251
7-amino-5-(3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2828691
7-amino-5-(3-methoxyphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3399249

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 4632044) is 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1cccc(O)c1.
What is the InChIKey of 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is YSUVKQXJKVKSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c15-5-8-9(6-2-1-3-7(19)4-6)10-12(20)17-14(21)18-13(10)22-11(8)16/h1-4,9,19H,16H2,(H2,17,18,20,21).
What are the key properties of 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 298.26 g/mol, XLogP of -0.01, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 4632044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).