2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid

C17H19FN4O2 — CID 167896511

IUPAC2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid
SMILESCCc1cc(N2C[C@@H](F)C[C@H]2CC(=O)O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H19FN4O2/c1-2-12-8-15(21-17(20-12)14-5-3-4-6-19-14)22-10-11(18)7-13(22)9-16(23)24/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,23,24)/t11-,13-/m0/s1
InChIKeyDCWNGFPRNNMZCB-AAEUAGOBSA-N
MW330.36 g/mol
LogP2.49
Rot. Bonds5

About 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid

2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid (PubChem CID 167896511) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid
PubChem CID167896511
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid
SMILESCCc1cc(N2C[C@@H](F)C[C@H]2CC(=O)O)nc(-c2ccccn2)n1
InChIInChI=1S/C17H19FN4O2/c1-2-12-8-15(21-17(20-12)14-5-3-4-6-19-14)22-10-11(18)7-13(22)9-16(23)24/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,23,24)/t11-,13-/m0/s1
InChIKeyDCWNGFPRNNMZCB-AAEUAGOBSA-N
XLogP2.49
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]cyclopropanecarboxamide
CID 133290845
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid (CID 167896511) is 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid is CCc1cc(N2C[C@@H](F)C[C@H]2CC(=O)O)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid?
The InChIKey is DCWNGFPRNNMZCB-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-2-12-8-15(21-17(20-12)14-5-3-4-6-19-14)22-10-11(18)7-13(22)9-16(23)24/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,23,24)/t11-,13-/m0/s1.
What are the key properties of 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid?
2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid has a molecular weight of 330.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 167896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).