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

C15H12N4O4 — CID 4631551

IUPAC7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1
InChIInChI=1S/C15H12N4O4/c1-22-8-4-2-7(3-5-8)10-9(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21)
InChIKeyRJFJKSJXBIQQFI-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.29
Rot. Bonds2

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

7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 4631551) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID4631551
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1
InChIInChI=1S/C15H12N4O4/c1-22-8-4-2-7(3-5-8)10-9(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21)
InChIKeyRJFJKSJXBIQQFI-UHFFFAOYSA-N
XLogP0.29
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-6-(4-(4-methoxyphenyl)piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 44426789
5-(4-Methoxybenzyl)-2,4-pyrimidinediol
CID 867850
6-amino-5-[(6-amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(4-methoxyphenyl)methyl]-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
CID 2816956
5-(4-Isopropoxy-benzyl)-pyrimidine-2,4,6-triol
CID 653312
5-[(4-ethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 659339
6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol
CID 388637
2-Amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 10805859
7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3411700
7-Amino-5-(4-hydroxyphenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2h-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 137742319
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-(4-methoxyphenyl)-3-butenyl)-
CID 3065942
7-Amino-5-(3-hydroxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 4632044
7-amino-5-(3,4-dimethoxyphenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 5132532

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 4631551) is 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is COc1ccc(C2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1.
What is the InChIKey of 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is RJFJKSJXBIQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-22-8-4-2-7(3-5-8)10-9(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 312.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-methoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 4631551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).