4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid

C11H11N3O3 — CID 116864985

IUPAC4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid
SMILESCNc1nc(-c2ccc(C)o2)ncc1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-6-3-4-8(17-6)10-13-5-7(11(15)16)9(12-2)14-10/h3-5H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFYXPLZBBPBNKKW-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.78
Rot. Bonds3

About 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid

4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 116864985) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid
PubChem CID116864985
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid
SMILESCNc1nc(-c2ccc(C)o2)ncc1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-6-3-4-8(17-6)10-13-5-7(11(15)16)9(12-2)14-10/h3-5H,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyFYXPLZBBPBNKKW-UHFFFAOYSA-N
XLogP1.78
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66297025
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
5-fluoro-N,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
CID 66000214
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
N,6-dimethyl-2-(5-methylfuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62914017
4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 82169097
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
4-amino-2-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 116865160
4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylic acid
CID 116894066
[5,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-yl]hydrazine
CID 62250569
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid (CID 116864985) is 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid is CNc1nc(-c2ccc(C)o2)ncc1C(=O)O.
What is the InChIKey of 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is FYXPLZBBPBNKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-3-4-8(17-6)10-13-5-7(11(15)16)9(12-2)14-10/h3-5H,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid?
4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-(5-methylfuran-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116864985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).