2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C19H13Cl2N5O — CID 5328633

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1
InChIInChI=1S/C19H13Cl2N5O/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(22)25-17(12)26(18(13)27)10-11-4-6-23-7-5-11/h1-9H,10H2,(H2,22,24,25)
InChIKeyXMTYXUJCIGTOHH-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328633) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328633
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1
InChIInChI=1S/C19H13Cl2N5O/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(22)25-17(12)26(18(13)27)10-11-4-6-23-7-5-11/h1-9H,10H2,(H2,22,24,25)
InChIKeyXMTYXUJCIGTOHH-UHFFFAOYSA-N
XLogP3.79
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 5328633) is 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XMTYXUJCIGTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c20-14-2-1-3-15(21)16(14)13-8-12-9-24-19(22)25-17(12)26(18(13)27)10-11-4-6-23-7-5-11/h1-9H,10H2,(H2,22,24,25).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 398.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).