6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C25H27N5 — CID 10222462

IUPAC6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29)
InChIKeyLZNSOVAHFMAUKZ-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.30
Rot. Bonds3

About 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine

6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10222462) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10222462
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29)
InChIKeyLZNSOVAHFMAUKZ-UHFFFAOYSA-N
XLogP5.30
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10222462) is 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LZNSOVAHFMAUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-25(2,3)18-10-6-16(7-11-18)20-14-21-23(26)27-15-28-24(21)29-22(20)17-8-12-19(13-9-17)30(4)5/h6-15H,1-5H3,(H2,26,27,28,29).
What are the key properties of 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 397.53 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10222462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).