2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H17N3O4 — CID 107605555

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)C2CCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-7-6-10(20-2)15-13(14-7)16-11(17)8-4-3-5-9(8)12(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyRTZMJWGYJXGFHZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.23
Rot. Bonds4

About 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 107605555) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID107605555
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)C2CCCC2C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-7-6-10(20-2)15-13(14-7)16-11(17)8-4-3-5-9(8)12(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H,14,15,16,17)
InChIKeyRTZMJWGYJXGFHZ-UHFFFAOYSA-N
XLogP1.23
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 114053517
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 107605555) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is COc1cc(C)nc(NC(=O)C2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RTZMJWGYJXGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7-6-10(20-2)15-13(14-7)16-11(17)8-4-3-5-9(8)12(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H,14,15,16,17).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107605555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).