5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid

C9H10N6O2 — CID 59173346

IUPAC5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid
SMILESCNc1cc(-n2ncc(C(=O)O)c2N)ncn1
InChIInChI=1S/C9H10N6O2/c1-11-6-2-7(13-4-12-6)15-8(10)5(3-14-15)9(16)17/h2-4H,10H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyUNSSWRVVYZKHJG-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.02
Rot. Bonds3

About 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid

5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 59173346) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID59173346
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid
SMILESCNc1cc(-n2ncc(C(=O)O)c2N)ncn1
InChIInChI=1S/C9H10N6O2/c1-11-6-2-7(13-4-12-6)15-8(10)5(3-14-15)9(16)17/h2-4H,10H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyUNSSWRVVYZKHJG-UHFFFAOYSA-N
XLogP-0.02
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6485410
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 1910189
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
1-[4-Amino-5-bromo-6-(cyclopropylmethylamino)pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 77107896
1-(Pyrazin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 57688424
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 19883261
7-Amino[1.2.4]triazolo[1.5-a]pyrimidine-6-carboxylic acid
CID 25219471
6-Carbamoylpyrazolo(1,5-a)pyrimidine-3-carboxylic acid
CID 66664490
2-[(6-Ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 44317585
Ethyl 7-(2-hydroxyethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317947
Ethyl 7-(propylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317971
Ethyl 7-(ethylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317972

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid (CID 59173346) is 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid is CNc1cc(-n2ncc(C(=O)O)c2N)ncn1.
What is the InChIKey of 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is UNSSWRVVYZKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-11-6-2-7(13-4-12-6)15-8(10)5(3-14-15)9(16)17/h2-4H,10H2,1H3,(H,16,17)(H,11,12,13).
What are the key properties of 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid?
5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 234.22 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 59173346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).