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

C19H13Cl2N5O2 — CID 58395567

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OCc3cccnc3)c2n1
InChIInChI=1S/C19H13Cl2N5O2/c20-14-4-1-5-15(21)16(14)13-7-12-9-24-19(22)25-17(12)26(18(13)27)28-10-11-3-2-6-23-8-11/h1-9H,10H2,(H2,22,24,25)
InChIKeyGQDXDFUFQCMKDY-UHFFFAOYSA-N
MW414.25 g/mol
LogP3.37
Rot. Bonds4

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

2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58395567) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one
PubChem CID58395567
Molecular FormulaC19H13Cl2N5O2
Molecular Weight414.25 g/mol
Exact Mass413.04
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OCc3cccnc3)c2n1
InChIInChI=1S/C19H13Cl2N5O2/c20-14-4-1-5-15(21)16(14)13-7-12-9-24-19(22)25-17(12)26(18(13)27)28-10-11-3-2-6-23-8-11/h1-9H,10H2,(H2,22,24,25)
InChIKeyGQDXDFUFQCMKDY-UHFFFAOYSA-N
XLogP3.37
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one (CID 58395567) is 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(OCc3cccnc3)c2n1.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GQDXDFUFQCMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c20-14-4-1-5-15(21)16(14)13-7-12-9-24-19(22)25-17(12)26(18(13)27)28-10-11-3-2-6-23-8-11/h1-9H,10H2,(H2,22,24,25).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 414.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-8-(pyridin-3-ylmethoxy)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58395567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).