3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide

C22H19N5O — CID 68913326

IUPAC3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C22H19N5O/c1-27(2)21(28)16-10-6-9-15(13-16)17-11-12-18-20(24-17)19(26-22(23)25-18)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,23,25,26)
InChIKeyRMYQCXLIQHNGFQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.64
Rot. Bonds3

About 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide

3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide (PubChem CID 68913326) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
PubChem CID68913326
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C22H19N5O/c1-27(2)21(28)16-10-6-9-15(13-16)17-11-12-18-20(24-17)19(26-22(23)25-18)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,23,25,26)
InChIKeyRMYQCXLIQHNGFQ-UHFFFAOYSA-N
XLogP3.64
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide (CID 68913326) is 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1.
What is the InChIKey of 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide?
The InChIKey is RMYQCXLIQHNGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-27(2)21(28)16-10-6-9-15(13-16)17-11-12-18-20(24-17)19(26-22(23)25-18)14-7-4-3-5-8-14/h3-13H,1-2H3,(H2,23,25,26).
What are the key properties of 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide?
3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide has a molecular weight of 369.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 68913326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).