7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C16H13Cl2N5O2 — CID 6494202

IUPAC7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)N2
InChIInChI=1S/C16H13Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-4-3-7(17)5-10(8)18/h3-5,11,21H,20H2,1-2H3
InChIKeyUITYHLSEFPXXAP-UHFFFAOYSA-N
MW378.22 g/mol
LogP1.64
Rot. Bonds1

About 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 6494202) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID6494202
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)N2
InChIInChI=1S/C16H13Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-4-3-7(17)5-10(8)18/h3-5,11,21H,20H2,1-2H3
InChIKeyUITYHLSEFPXXAP-UHFFFAOYSA-N
XLogP1.64
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 6494202) is 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)N2.
What is the InChIKey of 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is UITYHLSEFPXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-4-3-7(17)5-10(8)18/h3-5,11,21H,20H2,1-2H3.
What are the key properties of 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 378.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 6494202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).