2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C15H16N4O2 — CID 68517474

IUPAC2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ccccc1-c1nc(N)nc2c1CN(C(=O)O)CC2
InChIInChI=1S/C15H16N4O2/c1-9-4-2-3-5-10(9)13-11-8-19(15(20)21)7-6-12(11)17-14(16)18-13/h2-5H,6-8H2,1H3,(H,20,21)(H2,16,17,18)
InChIKeyNVUWTAPWJKLIHH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds1

About 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 68517474) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID68517474
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ccccc1-c1nc(N)nc2c1CN(C(=O)O)CC2
InChIInChI=1S/C15H16N4O2/c1-9-4-2-3-5-10(9)13-11-8-19(15(20)21)7-6-12(11)17-14(16)18-13/h2-5H,6-8H2,1H3,(H,20,21)(H2,16,17,18)
InChIKeyNVUWTAPWJKLIHH-UHFFFAOYSA-N
XLogP2.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 68517474) is 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is Cc1ccccc1-c1nc(N)nc2c1CN(C(=O)O)CC2.
What is the InChIKey of 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is NVUWTAPWJKLIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-4-2-3-5-10(9)13-11-8-19(15(20)21)7-6-12(11)17-14(16)18-13/h2-5H,6-8H2,1H3,(H,20,21)(H2,16,17,18).
What are the key properties of 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 68517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).