3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide

C13H21ClN4O — CID 106098039

IUPAC3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-12(2,3)11-16-8(14)6-10(17-11)18-13(4,5)7-9(15)19/h6H,7H2,1-5H3,(H2,15,19)(H,16,17,18)
InChIKeyGFLODUQXOIXIOP-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.49
Rot. Bonds4

About 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide

3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 106098039) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID106098039
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-12(2,3)11-16-8(14)6-10(17-11)18-13(4,5)7-9(15)19/h6H,7H2,1-5H3,(H2,15,19)(H,16,17,18)
InChIKeyGFLODUQXOIXIOP-UHFFFAOYSA-N
XLogP2.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 106097339
ethyl 4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butanoate
CID 80951372
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide (CID 106098039) is 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is GFLODUQXOIXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-12(2,3)11-16-8(14)6-10(17-11)18-13(4,5)7-9(15)19/h6H,7H2,1-5H3,(H2,15,19)(H,16,17,18).
What are the key properties of 3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 284.79 g/mol, XLogP of 2.49, 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-chloropyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106098039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).