3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide

C25H25N5O — CID 68915002

IUPAC3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1
InChIInChI=1S/C25H25N5O/c1-3-30(4-2)24(31)19-12-8-11-18(16-19)20-13-14-21-23(27-20)22(29-25(26)28-21)15-17-9-6-5-7-10-17/h5-14,16H,3-4,15H2,1-2H3,(H2,26,28,29)
InChIKeyFSXQOTSIFPDCGA-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.35
Rot. Bonds6

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

3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide (PubChem CID 68915002) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide
PubChem CID68915002
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1
InChIInChI=1S/C25H25N5O/c1-3-30(4-2)24(31)19-12-8-11-18(16-19)20-13-14-21-23(27-20)22(29-25(26)28-21)15-17-9-6-5-7-10-17/h5-14,16H,3-4,15H2,1-2H3,(H2,26,28,29)
InChIKeyFSXQOTSIFPDCGA-UHFFFAOYSA-N
XLogP4.35
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)benzamide
CID 68915324
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68910778
3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68913326
5-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-2-methoxybenzaldehyde
CID 87622899
3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
CID 69014106
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
CID 68915273
N-[4-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)phenyl]-4-oxobutanamide
CID 87622044
3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
CID 69017846
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
tert-butyl 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)benzoate
CID 68910825
CID 174412487
CID 174412487
2-amino-N,N-diethyl-4-methyl-6-(2-phenylethyl)pyrimidine-5-carboxamide
CID 54853965

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide?
The IUPAC name of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide (CID 68915002) is 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide?
The canonical SMILES for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(Cc4ccccc4)c3n2)c1.
What is the InChIKey of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide?
The InChIKey is FSXQOTSIFPDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-3-30(4-2)24(31)19-12-8-11-18(16-19)20-13-14-21-23(27-20)22(29-25(26)28-21)15-17-9-6-5-7-10-17/h5-14,16H,3-4,15H2,1-2H3,(H2,26,28,29).
What are the key properties of 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide?
3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide has a molecular weight of 411.51 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 68915002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).