4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid

C14H19N3O3 — CID 115973155

IUPAC4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C14H19N3O3/c1-3-6-20-12-7-9(2)15-14(17-12)16-11-5-4-10(8-11)13(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGFWNYRCBUAEDQI-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds6

About 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 115973155) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID115973155
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C14H19N3O3/c1-3-6-20-12-7-9(2)15-14(17-12)16-11-5-4-10(8-11)13(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGFWNYRCBUAEDQI-UHFFFAOYSA-N
XLogP2.02
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112637391
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 115973140
N-(3-chloro-2,2-dimethylcyclobutyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 114632140
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
5-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973199
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216895

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid (CID 115973155) is 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid is CCCOc1cc(C)nc(NC2C=CC(C(=O)O)C2)n1.
What is the InChIKey of 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is GFWNYRCBUAEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-6-20-12-7-9(2)15-14(17-12)16-11-5-4-10(8-11)13(18)19/h4-5,7,10-11H,3,6,8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 115973155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).