7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C15H13ClFN5 — CID 44531587

IUPAC7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cc2ccc(F)cc2)c(Cl)nc2nc(N)nc(N)c12
InChIInChI=1S/C15H13ClFN5/c1-7-10(6-8-2-4-9(17)5-3-8)12(16)20-14-11(7)13(18)21-15(19)22-14/h2-5H,6H2,1H3,(H4,18,19,20,21,22)
InChIKeyADNJGLIGNPIOOE-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.88
Rot. Bonds2

About 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 44531587) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID44531587
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC Name7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1c(Cc2ccc(F)cc2)c(Cl)nc2nc(N)nc(N)c12
InChIInChI=1S/C15H13ClFN5/c1-7-10(6-8-2-4-9(17)5-3-8)12(16)20-14-11(7)13(18)21-15(19)22-14/h2-5H,6H2,1H3,(H4,18,19,20,21,22)
InChIKeyADNJGLIGNPIOOE-UHFFFAOYSA-N
XLogP2.88
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 44531587) is 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1c(Cc2ccc(F)cc2)c(Cl)nc2nc(N)nc(N)c12.
What is the InChIKey of 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ADNJGLIGNPIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5/c1-7-10(6-8-2-4-9(17)5-3-8)12(16)20-14-11(7)13(18)21-15(19)22-14/h2-5H,6H2,1H3,(H4,18,19,20,21,22).
What are the key properties of 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 317.76 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44531587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).