5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H20N4O3S — CID 64643270

IUPAC5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H20N4O3S/c1-7(2)11-14-5-9(13)10(16-11)12(17)15-8(3)6-20(4,18)19/h5,7-8H,6,13H2,1-4H3,(H,15,17)
InChIKeyJDLDZDAQTUMRQG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.35
Rot. Bonds5

About 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 64643270) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID64643270
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(CS(C)(=O)=O)NC(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C12H20N4O3S/c1-7(2)11-14-5-9(13)10(16-11)12(17)15-8(3)6-20(4,18)19/h5,7-8H,6,13H2,1-4H3,(H,15,17)
InChIKeyJDLDZDAQTUMRQG-UHFFFAOYSA-N
XLogP0.35
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide 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 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 64643270) is 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(CS(C)(=O)=O)NC(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JDLDZDAQTUMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-7(2)11-14-5-9(13)10(16-11)12(17)15-8(3)6-20(4,18)19/h5,7-8H,6,13H2,1-4H3,(H,15,17).
What are the key properties of 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 64643270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).