1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C13H18N4O4 — CID 107602132

IUPAC1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)N2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H18N4O4/c1-7-4-5-17(10(7)11(18)19)13(20)16-12-14-8(2)6-9(15-12)21-3/h6-7,10H,4-5H2,1-3H3,(H,18,19)(H,14,15,16,20)
InChIKeyUQLZRCFVNGRLCC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.12
Rot. Bonds3

About 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 107602132) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID107602132
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)N2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H18N4O4/c1-7-4-5-17(10(7)11(18)19)13(20)16-12-14-8(2)6-9(15-12)21-3/h6-7,10H,4-5H2,1-3H3,(H,18,19)(H,14,15,16,20)
InChIKeyUQLZRCFVNGRLCC-UHFFFAOYSA-N
XLogP1.12
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107602169
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107602545
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589330
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107629310
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 107602132) is 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is COc1cc(C)nc(NC(=O)N2CCC(C)C2C(=O)O)n1.
What is the InChIKey of 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is UQLZRCFVNGRLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7-4-5-17(10(7)11(18)19)13(20)16-12-14-8(2)6-9(15-12)21-3/h6-7,10H,4-5H2,1-3H3,(H,18,19)(H,14,15,16,20).
What are the key properties of 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107602132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).