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

C14H21N3O3 — CID 115973093

IUPAC2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-3-7-20-12-8-9(2)15-14(17-12)16-11-6-4-5-10(11)13(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUZFRXHNTSINNOO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.24
Rot. Bonds6

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

2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 115973093) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID115973093
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1cc(C)nc(NC2CCCC2C(=O)O)n1
InChIInChI=1S/C14H21N3O3/c1-3-7-20-12-8-9(2)15-14(17-12)16-11-6-4-5-10(11)13(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUZFRXHNTSINNOO-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
N-[2-(aminomethyl)cyclohexyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973485
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopent-2-ene-1-carboxylic acid
CID 115973155
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
4-methyl-N-[(2-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107419381
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
N-(2,2-dimethylcyclopropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112637391
4-methyl-N-[(3-methylcyclopentyl)methyl]-6-propoxypyrimidin-2-amine
CID 107414062
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 115973140

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 115973093) is 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is CCCOc1cc(C)nc(NC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is UZFRXHNTSINNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-7-20-12-8-9(2)15-14(17-12)16-11-6-4-5-10(11)13(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115973093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).