5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

C26H21ClN6 — CID 10004031

IUPAC5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cccc(Cl)c3)c2-c2ccccc2)cn1
InChIInChI=1S/C26H21ClN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h3-15H,1-2H3,(H2,28,30,31,32)
InChIKeyKOPJYYGYQYFABG-UHFFFAOYSA-N
MW452.95 g/mol
LogP5.72
Rot. Bonds4

About 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine

5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10004031) has the molecular formula C26H21ClN6 and a molecular weight of 452.95 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID10004031
Molecular FormulaC26H21ClN6
Molecular Weight452.95 g/mol
Exact Mass452.15
IUPAC Name5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cccc(Cl)c3)c2-c2ccccc2)cn1
InChIInChI=1S/C26H21ClN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h3-15H,1-2H3,(H2,28,30,31,32)
InChIKeyKOPJYYGYQYFABG-UHFFFAOYSA-N
XLogP5.72
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 10004031) is 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cccc(Cl)c3)c2-c2ccccc2)cn1.
What is the InChIKey of 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KOPJYYGYQYFABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6/c1-33(2)20-12-11-18(14-29-20)24-22(16-7-4-3-5-8-16)21(17-9-6-10-19(27)13-17)23-25(28)30-15-31-26(23)32-24/h3-15H,1-2H3,(H2,28,30,31,32).
What are the key properties of 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 452.95 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10004031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).