1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H23N3O2 — CID 106983097

IUPAC1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CCC(C(=O)O)(C(C)C)C2)nc(C)n1
InChIInChI=1S/C15H23N3O2/c1-5-12-8-13(17-11(4)16-12)18-7-6-15(9-18,10(2)3)14(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyVNPNTDZSAOJHPG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds4

About 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983097) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983097
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CCC(C(=O)O)(C(C)C)C2)nc(C)n1
InChIInChI=1S/C15H23N3O2/c1-5-12-8-13(17-11(4)16-12)18-7-6-15(9-18,10(2)3)14(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyVNPNTDZSAOJHPG-UHFFFAOYSA-N
XLogP2.28
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-1-quinoxalin-2-ylpyrrolidine-3-carboxylic acid
CID 106983124
(3S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482942
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472365
(3R)-2-(cyclopropanecarbonyl)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715929
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
1-(2-methoxycarbonylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983174
1-(4-ethoxypyrimidin-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983041
2-(6-ethyl-2-methylpyrimidin-4-yl)-2-azaspiro[5.5]undec-9-ene
CID 133460813
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106701
(4aS,8aS)-2-ethyl-7-(6-ethyl-2-methylpyrimidin-4-yl)-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72864387

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983097) is 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCc1cc(N2CCC(C(=O)O)(C(C)C)C2)nc(C)n1.
What is the InChIKey of 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VNPNTDZSAOJHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-12-8-13(17-11(4)16-12)18-7-6-15(9-18,10(2)3)14(19)20/h8,10H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methylpyrimidin-4-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).