7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

C19H19N5O4 — CID 1088622

IUPAC7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C19H19N5O4/c1-5-28-12-7-6-10(8-13(12)27-4)14-11(9-20)16(21)22-17-15(14)18(25)24(3)19(26)23(17)2/h6-8H,5H2,1-4H3,(H2,21,22)
InChIKeySIBXWNVLNHHOSZ-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.16
Rot. Bonds4

About 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 1088622) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID1088622
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C19H19N5O4/c1-5-28-12-7-6-10(8-13(12)27-4)14-11(9-20)16(21)22-17-15(14)18(25)24(3)19(26)23(17)2/h6-8H,5H2,1-4H3,(H2,21,22)
InChIKeySIBXWNVLNHHOSZ-UHFFFAOYSA-N
XLogP1.16
TPSA125.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile (CID 1088622) is 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is SIBXWNVLNHHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-5-28-12-7-6-10(8-13(12)27-4)14-11(9-20)16(21)22-17-15(14)18(25)24(3)19(26)23(17)2/h6-8H,5H2,1-4H3,(H2,21,22).
What are the key properties of 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 381.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 1088622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).