(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H17N3O2 — CID 97055767

IUPAC(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CC[C@@H](C(=O)O)C2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-3-10-6-11(14-8(2)13-10)15-5-4-9(7-15)12(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyVVPKTMPGBQMXOU-SECBINFHSA-N
MW235.29 g/mol
LogP1.26
Rot. Bonds3

About (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 97055767) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID97055767
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1cc(N2CC[C@@H](C(=O)O)C2)nc(C)n1
InChIInChI=1S/C12H17N3O2/c1-3-10-6-11(14-8(2)13-10)15-5-4-9(7-15)12(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyVVPKTMPGBQMXOU-SECBINFHSA-N
XLogP1.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106701
1-[6-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 110277709
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
(3S,4S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063861
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133461008
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133461987
4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133461969

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 97055767) is (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CCc1cc(N2CC[C@@H](C(=O)O)C2)nc(C)n1.
What is the InChIKey of (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is VVPKTMPGBQMXOU-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-10-6-11(14-8(2)13-10)15-5-4-9(7-15)12(16)17/h6,9H,3-5,7H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 97055767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).