2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine

C24H19ClF2N4 — CID 89357981

IUPAC2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC/C(C)=C(\Nc1nc(-c2ccccc2Cl)nc2cnccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19ClF2N4/c1-3-14(2)22(15-10-16(26)12-17(27)11-15)30-24-19-8-9-28-13-21(19)29-23(31-24)18-6-4-5-7-20(18)25/h4-13H,3H2,1-2H3,(H,29,30,31)/b22-14-
InChIKeyDZUVPTMWXJNWBI-HMAPJEAMSA-N
MW436.89 g/mol
LogP6.88
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine

2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 89357981) has the molecular formula C24H19ClF2N4 and a molecular weight of 436.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID89357981
Molecular FormulaC24H19ClF2N4
Molecular Weight436.89 g/mol
Exact Mass436.13
IUPAC Name2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCC/C(C)=C(\Nc1nc(-c2ccccc2Cl)nc2cnccc12)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19ClF2N4/c1-3-14(2)22(15-10-16(26)12-17(27)11-15)30-24-19-8-9-28-13-21(19)29-23(31-24)18-6-4-5-7-20(18)25/h4-13H,3H2,1-2H3,(H,29,30,31)/b22-14-
InChIKeyDZUVPTMWXJNWBI-HMAPJEAMSA-N
XLogP6.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.89
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine (CID 89357981) is 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine is CC/C(C)=C(\Nc1nc(-c2ccccc2Cl)nc2cnccc12)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is DZUVPTMWXJNWBI-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H19ClF2N4/c1-3-14(2)22(15-10-16(26)12-17(27)11-15)30-24-19-8-9-28-13-21(19)29-23(31-24)18-6-4-5-7-20(18)25/h4-13H,3H2,1-2H3,(H,29,30,31)/b22-14-.
What are the key properties of 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine?
2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 436.89 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(Z)-1-(3,5-difluorophenyl)-2-methylbut-1-enyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 89357981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).