N-benzylpyrido[3,2-d]pyrimidin-4-amine

C14H12N4 — CID 5328272

IUPACN-benzylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3cccnc23)cc1
InChIInChI=1S/C14H12N4/c1-2-5-11(6-3-1)9-16-14-13-12(17-10-18-14)7-4-8-15-13/h1-8,10H,9H2,(H,16,17,18)
InChIKeyWALLIFXHVLZYJG-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds3

About N-benzylpyrido[3,2-d]pyrimidin-4-amine

N-benzylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 5328272) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-benzylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID5328272
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC NameN-benzylpyrido[3,2-d]pyrimidin-4-amine
SMILESc1ccc(CNc2ncnc3cccnc23)cc1
InChIInChI=1S/C14H12N4/c1-2-5-11(6-3-1)9-16-14-13-12(17-10-18-14)7-4-8-15-13/h1-8,10H,9H2,(H,16,17,18)
InChIKeyWALLIFXHVLZYJG-UHFFFAOYSA-N
XLogP2.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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SB-220025
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Pd 158780
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CR-4056
CID 24898732
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253

Frequently Asked Questions

What is the IUPAC name of N-benzylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-benzylpyrido[3,2-d]pyrimidin-4-amine (CID 5328272) is N-benzylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-benzylpyrido[3,2-d]pyrimidin-4-amine is c1ccc(CNc2ncnc3cccnc23)cc1.
What is the InChIKey of N-benzylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is WALLIFXHVLZYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-5-11(6-3-1)9-16-14-13-12(17-10-18-14)7-4-8-15-13/h1-8,10H,9H2,(H,16,17,18).
What are the key properties of N-benzylpyrido[3,2-d]pyrimidin-4-amine?
N-benzylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 236.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 5328272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).