1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione

C12H11N5O2 — CID 170322271

IUPAC1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
SMILESCn1nc(-n2ccc(=O)[nH]c2=O)c2ccc(N)cc21
InChIInChI=1S/C12H11N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-6H,13H2,1H3,(H,14,18,19)
InChIKeyCXPCGMYFFIQWQT-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.01
Rot. Bonds1

About 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione

1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione (PubChem CID 170322271) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
PubChem CID170322271
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione
SMILESCn1nc(-n2ccc(=O)[nH]c2=O)c2ccc(N)cc21
InChIInChI=1S/C12H11N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-6H,13H2,1H3,(H,14,18,19)
InChIKeyCXPCGMYFFIQWQT-UHFFFAOYSA-N
XLogP-0.01
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-1-methyl-6-piperidin-4-ylindazol-3-yl)pyrimidine-2,4-dione;hydrochloride
CID 174219883
1-(1,6-dimethylindazol-3-yl)-5-fluoropyrimidine-2,4-dione
CID 169265766
1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
CID 170164664
1-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-fluoro-1-methylindazol-3-yl]pyrimidine-2,4-dione
CID 156505740
6-amino-3-methyl-1H-benzimidazol-2-one
CID 15508437
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057
7-amino-1-methylquinolin-4-one
CID 10329797
5,6-diamino-3-methyl-1H-benzimidazol-2-one
CID 10910122
ethane;1-methylpyrimidine-2,4-dione
CID 91098384
5-amino-1,3-dimethylbenzimidazol-2-one;azane
CID 67182672
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
6-amino-1-methylquinazolin-4-one
CID 130118535

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione (CID 170322271) is 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione is Cn1nc(-n2ccc(=O)[nH]c2=O)c2ccc(N)cc21.
What is the InChIKey of 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione?
The InChIKey is CXPCGMYFFIQWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-16-9-6-7(13)2-3-8(9)11(15-16)17-5-4-10(18)14-12(17)19/h2-6H,13H2,1H3,(H,14,18,19).
What are the key properties of 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione?
1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-1-methylindazol-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170322271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).