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

C26H22N6 — CID 10002103

IUPAC7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccccc2)cn1
InChIInChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31)
InChIKeyFZVIKJCZQYUWJI-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.07
Rot. Bonds4

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

7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10002103) has the molecular formula C26H22N6 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID10002103
Molecular FormulaC26H22N6
Molecular Weight418.50 g/mol
Exact Mass418.19
IUPAC Name7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccccc2)cn1
InChIInChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31)
InChIKeyFZVIKJCZQYUWJI-UHFFFAOYSA-N
XLogP5.07
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine (CID 10002103) is 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3ccccc3)c2-c2ccccc2)cn1.
What is the InChIKey of 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FZVIKJCZQYUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6/c1-32(2)20-14-13-19(15-28-20)24-22(18-11-7-4-8-12-18)21(17-9-5-3-6-10-17)23-25(27)29-16-30-26(23)31-24/h3-16H,1-2H3,(H2,27,29,30,31).
What are the key properties of 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine?
7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(dimethylamino)-3-pyridinyl]-5,6-diphenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10002103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).