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

C13H18N4O4 — CID 107602103

IUPAC2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)NC2CCCC2C(=O)O)n1
InChIInChI=1S/C13H18N4O4/c1-7-6-10(21-2)16-12(14-7)17-13(20)15-9-5-3-4-8(9)11(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyHEVDVXPZKSOOLU-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.17
Rot. Bonds4

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

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 107602103) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID107602103
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)NC2CCCC2C(=O)O)n1
InChIInChI=1S/C13H18N4O4/c1-7-6-10(21-2)16-12(14-7)17-13(20)15-9-5-3-4-8(9)11(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17,20)
InChIKeyHEVDVXPZKSOOLU-UHFFFAOYSA-N
XLogP1.17
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
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-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 115973093
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 107602133
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 107602103) is 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is COc1cc(C)nc(NC(=O)NC2CCCC2C(=O)O)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HEVDVXPZKSOOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7-6-10(21-2)16-12(14-7)17-13(20)15-9-5-3-4-8(9)11(18)19/h6,8-9H,3-5H2,1-2H3,(H,18,19)(H2,14,15,16,17,20).
What are the key properties of 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 107602103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).