6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 116862342

IUPAC6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(C2CCN(C)C2)n1
InChIInChI=1S/C11H15N3O3/c1-14-4-3-7(6-14)10-12-8(11(15)16)5-9(13-10)17-2/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyFQTLATOTRDFNJJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds3

About 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid

6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 116862342) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
PubChem CID116862342
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(C2CCN(C)C2)n1
InChIInChI=1S/C11H15N3O3/c1-14-4-3-7(6-14)10-12-8(11(15)16)5-9(13-10)17-2/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyFQTLATOTRDFNJJ-UHFFFAOYSA-N
XLogP0.60
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
CID 83822786
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
CID 116895403
methyl 4-(methylamino)-2-(1-methylpyrrolidin-3-yl)pyrimidine-5-carboxylate
CID 116865086
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270128
6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
CID 121206911
2-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxylic acid
CID 115337398
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid (CID 116862342) is 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid is COc1cc(C(=O)O)nc(C2CCN(C)C2)n1.
What is the InChIKey of 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is FQTLATOTRDFNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-4-3-7(6-14)10-12-8(11(15)16)5-9(13-10)17-2/h5,7H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid?
6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116862342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).