2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid

C17H18N4O4 — CID 141365931

IUPAC2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCN2C(=O)O)ncn1
InChIInChI=1S/C17H18N4O4/c1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-16(22)13-6-4-8-21(13)17(23)24/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,23,24)(H,18,19,20,22)
InChIKeyCNSKAFLVWBRBAD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.23
Rot. Bonds4

About 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid

2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 141365931) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID141365931
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1-c1cc(NC(=O)C2CCCN2C(=O)O)ncn1
InChIInChI=1S/C17H18N4O4/c1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-16(22)13-6-4-8-21(13)17(23)24/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,23,24)(H,18,19,20,22)
InChIKeyCNSKAFLVWBRBAD-UHFFFAOYSA-N
XLogP2.23
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(7-oxo-5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-propyl]-imidazolidin-1-yl}-propionic acid
CID 10906526
(2S)-2-[[5-[acetyl(ethyl)amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
CID 16678632
(2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-(3-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)pentanamide
CID 44410911
(4S)-3-[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489869
(2R)-2-amino-N-(3-methoxy-4-pyrimidin-4-ylphenyl)-4-methylpentanamide
CID 117813723
N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508963
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508975
6-Oxo-piperidine-3-carboxylic acid [6-(2-methoxy-phenyl)-pyrimidin-4-yl]-amide
CID 59508976
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide
CID 59509028
6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3235546
(2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)pentanamide
CID 11635447
(2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-methyl-2-(4-(4-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)pentanamide
CID 11656697

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 141365931) is 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid is COc1ccccc1-c1cc(NC(=O)C2CCCN2C(=O)O)ncn1.
What is the InChIKey of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is CNSKAFLVWBRBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-25-14-7-3-2-5-11(14)12-9-15(19-10-18-12)20-16(22)13-6-4-8-21(13)17(23)24/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,23,24)(H,18,19,20,22).
What are the key properties of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid?
2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 141365931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).