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

C22H21N5 — CID 10291751

IUPAC6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3cc2Cc2ccccc2)cc1
InChIInChI=1S/C22H21N5/c1-27(2)18-10-8-16(9-11-18)20-17(12-15-6-4-3-5-7-15)13-19-21(23)24-14-25-22(19)26-20/h3-11,13-14H,12H2,1-2H3,(H2,23,24,25,26)
InChIKeyYLEOEWIGCWPIKB-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.93
Rot. Bonds4

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

6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10291751) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10291751
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3cc2Cc2ccccc2)cc1
InChIInChI=1S/C22H21N5/c1-27(2)18-10-8-16(9-11-18)20-17(12-15-6-4-3-5-7-15)13-19-21(23)24-14-25-22(19)26-20/h3-11,13-14H,12H2,1-2H3,(H2,23,24,25,26)
InChIKeyYLEOEWIGCWPIKB-UHFFFAOYSA-N
XLogP3.93
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10291751) is 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2nc3ncnc(N)c3cc2Cc2ccccc2)cc1.
What is the InChIKey of 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is YLEOEWIGCWPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-27(2)18-10-8-16(9-11-18)20-17(12-15-6-4-3-5-7-15)13-19-21(23)24-14-25-22(19)26-20/h3-11,13-14H,12H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 355.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10291751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).