7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

C22H18Cl2N4 — CID 25098115

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C22H18Cl2N4/c1-12(2)21-27-20(25)17-11-16(13-7-9-14(23)10-8-13)19(26-22(17)28-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyURQPZKHZNDMWGZ-UHFFFAOYSA-N
MW409.32 g/mol
LogP6.37
Rot. Bonds3

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 25098115) has the molecular formula C22H18Cl2N4 and a molecular weight of 409.32 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID25098115
Molecular FormulaC22H18Cl2N4
Molecular Weight409.32 g/mol
Exact Mass408.09
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C22H18Cl2N4/c1-12(2)21-27-20(25)17-11-16(13-7-9-14(23)10-8-13)19(26-22(17)28-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H2,25,26,27,28)
InChIKeyURQPZKHZNDMWGZ-UHFFFAOYSA-N
XLogP6.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 25098115) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is CC(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is URQPZKHZNDMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4/c1-12(2)21-27-20(25)17-11-16(13-7-9-14(23)10-8-13)19(26-22(17)28-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H2,25,26,27,28).
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 409.32 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25098115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).