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

C22H18Cl2N4O — CID 11683289

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCc3ccccc3)c2n1
InChIInChI=1S/C22H18Cl2N4O/c23-17-9-4-10-18(24)19(17)16-12-15-13-26-22(25)27-20(15)28(21(16)29)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H2,25,26,27)
InChIKeyNRIXVSKQGIVOTD-UHFFFAOYSA-N
MW425.32 g/mol
LogP4.98
Rot. Bonds5

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

2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 11683289) has the molecular formula C22H18Cl2N4O and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID11683289
Molecular FormulaC22H18Cl2N4O
Molecular Weight425.32 g/mol
Exact Mass424.09
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCc3ccccc3)c2n1
InChIInChI=1S/C22H18Cl2N4O/c23-17-9-4-10-18(24)19(17)16-12-15-13-26-22(25)27-20(15)28(21(16)29)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H2,25,26,27)
InChIKeyNRIXVSKQGIVOTD-UHFFFAOYSA-N
XLogP4.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one (CID 11683289) is 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one is Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCc3ccccc3)c2n1.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NRIXVSKQGIVOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O/c23-17-9-4-10-18(24)19(17)16-12-15-13-26-22(25)27-20(15)28(21(16)29)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12-13H,5,8,11H2,(H2,25,26,27).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.32 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11683289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).