3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide

C12H19ClN4O — CID 80971178

IUPAC3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCCC(N)=O
InChIInChI=1S/C12H19ClN4O/c1-7-9(13)16-11(12(2,3)4)17-10(7)15-6-5-8(14)18/h5-6H2,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyIVHVBCDIICRMRF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.02
Rot. Bonds4

About 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide

3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 80971178) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
PubChem CID80971178
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NCCC(N)=O
InChIInChI=1S/C12H19ClN4O/c1-7-9(13)16-11(12(2,3)4)17-10(7)15-6-5-8(14)18/h5-6H2,1-4H3,(H2,14,18)(H,15,16,17)
InChIKeyIVHVBCDIICRMRF-UHFFFAOYSA-N
XLogP2.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]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

2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 80970188
3-[2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112527
N-but-3-enyl-2-tert-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 106196201
2-tert-butyl-6-chloro-5-methyl-N-(2-methylsulfinylethyl)pyrimidin-4-amine
CID 113480418
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80971808
2-tert-butyl-6-chloro-N-(2,2-dimethylbutyl)-5-methylpyrimidin-4-amine
CID 103463623
3-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80982844
2-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80981514
2-tert-butyl-6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 80978304
2-tert-butyl-6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80970078
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730182
2-tert-butyl-6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80971390

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide (CID 80971178) is 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide is Cc1c(Cl)nc(C(C)(C)C)nc1NCCC(N)=O.
What is the InChIKey of 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is IVHVBCDIICRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-9(13)16-11(12(2,3)4)17-10(7)15-6-5-8(14)18/h5-6H2,1-4H3,(H2,14,18)(H,15,16,17).
What are the key properties of 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide?
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 270.76 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80971178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).