2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C19H13ClFN5S — CID 11989445

IUPAC2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCSc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H13ClFN5S/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKeyGIXZQHRYUXQCFY-UHFFFAOYSA-N
MW397.87 g/mol
LogP5.34
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11989445) has the molecular formula C19H13ClFN5S and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11989445
Molecular FormulaC19H13ClFN5S
Molecular Weight397.87 g/mol
Exact Mass397.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCSc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H13ClFN5S/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKeyGIXZQHRYUXQCFY-UHFFFAOYSA-N
XLogP5.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

SD-208
CID 10316032
6-[(4-Chloro-2-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 470176
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
6-(4-Chloro-phenylsulfanylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 464022
2,4-Diamino-5-methylpyrido(2,3-d)pyrimidine, 6-((3-chlorophenylthio)methyl), 0.9 hydrate
CID 464034
2-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 9880709
2-(5-Chloro-2-fluorophenyl)-4-(3-ethyl-4-pyridylamino)pteridine
CID 44432057
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
N-(3,5-dichlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
CID 44369669
N-(3-chlorophenyl)-2-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 137634736
N-(3-methylsulfanylphenyl)-2-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 137637797
N-(3-fluorophenyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
CID 137645106

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11989445) is 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is CSc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GIXZQHRYUXQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5S/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 397.87 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(3-methylsulfanyl-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11989445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).