(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

C16H20N6O2S — CID 25332600

IUPAC(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)c1
InChIInChI=1S/C16H20N6O2S/c1-8-4-5-11(9(2)6-8)19-15(24)22-14(23)10(3)25-16-20-12(17)7-13(18)21-16/h4-7,10H,1-3H3,(H4,17,18,20,21)(H2,19,22,23,24)/t10-/m0/s1
InChIKeyCZMFAPKRLVHOTC-JTQLQIEISA-N
MW360.44 g/mol
LogP2.09
Rot. Bonds4

About (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (PubChem CID 25332600) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
PubChem CID25332600
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)c1
InChIInChI=1S/C16H20N6O2S/c1-8-4-5-11(9(2)6-8)19-15(24)22-14(23)10(3)25-16-20-12(17)7-13(18)21-16/h4-7,10H,1-3H3,(H4,17,18,20,21)(H2,19,22,23,24)/t10-/m0/s1
InChIKeyCZMFAPKRLVHOTC-JTQLQIEISA-N
XLogP2.09
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide 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

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 43046729
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 46583741
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 24651837
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 134038781
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
(2S)-N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8553850
N-(2,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318164
ethyl 4-amino-2-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 3168505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The IUPAC name of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (CID 25332600) is (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.
What is the SMILES notation for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The canonical SMILES for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)c1.
What is the InChIKey of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The InChIKey is CZMFAPKRLVHOTC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-8-4-5-11(9(2)6-8)19-15(24)22-14(23)10(3)25-16-20-12(17)7-13(18)21-16/h4-7,10H,1-3H3,(H4,17,18,20,21)(H2,19,22,23,24)/t10-/m0/s1.
What are the key properties of (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide has a molecular weight of 360.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 25332600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).