2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide

C15H20N6O2S — CID 59199561

IUPAC2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(N[C@@H](C(N)=O)C(C)C)ncc2C(N)=O)c1
InChIInChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21)/t11-/m1/s1
InChIKeyKELXPKJCFIABKR-LLVKDONJSA-N
MW348.43 g/mol
LogP1.61
Rot. Bonds7

About 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide

2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 59199561) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID59199561
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(N[C@@H](C(N)=O)C(C)C)ncc2C(N)=O)c1
InChIInChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21)/t11-/m1/s1
InChIKeyKELXPKJCFIABKR-LLVKDONJSA-N
XLogP1.61
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-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 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (CID 59199561) is 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is Cc1csc(Nc2nc(N[C@@H](C(N)=O)C(C)C)ncc2C(N)=O)c1.
What is the InChIKey of 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KELXPKJCFIABKR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).