4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid

C16H17N3O2 — CID 83178304

IUPAC4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCc3ccccc3C2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-10-14(15(20)21)9-17-16(18-10)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYAXUDUZYEJCYKM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.45
Rot. Bonds3

About 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 83178304) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID83178304
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NC2CCc3ccccc3C2)ncc1C(=O)O
InChIInChI=1S/C16H17N3O2/c1-10-14(15(20)21)9-17-16(18-10)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYAXUDUZYEJCYKM-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid (CID 83178304) is 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid is Cc1nc(NC2CCc3ccccc3C2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is YAXUDUZYEJCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-14(15(20)21)9-17-16(18-10)19-13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83178304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).