2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C13H10Cl2N4O — CID 44632237

IUPAC2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2c(n1)NC(=O)C(c1c(Cl)cccc1Cl)C2
InChIInChI=1S/C13H10Cl2N4O/c14-8-2-1-3-9(15)10(8)7-4-6-5-17-13(16)19-11(6)18-12(7)20/h1-3,5,7H,4H2,(H3,16,17,18,19,20)
InChIKeyINIPQHRIEBOVCL-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.64
Rot. Bonds1

About 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 44632237) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID44632237
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2c(n1)NC(=O)C(c1c(Cl)cccc1Cl)C2
InChIInChI=1S/C13H10Cl2N4O/c14-8-2-1-3-9(15)10(8)7-4-6-5-17-13(16)19-11(6)18-12(7)20/h1-3,5,7H,4H2,(H3,16,17,18,19,20)
InChIKeyINIPQHRIEBOVCL-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 44632237) is 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2c(n1)NC(=O)C(c1c(Cl)cccc1Cl)C2.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is INIPQHRIEBOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c14-8-2-1-3-9(15)10(8)7-4-6-5-17-13(16)19-11(6)18-12(7)20/h1-3,5,7H,4H2,(H3,16,17,18,19,20).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 309.16 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 44632237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).