N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide

C10H14ClN3O — CID 102538215

IUPACN-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6-5-7(13-9(11)12-6)8(15)14-10(2,3)4/h5H,1-4H3,(H,14,15)
InChIKeyZPCVBKSOLUTGFY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.97
Rot. Bonds1

About N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide

N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide (PubChem CID 102538215) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
PubChem CID102538215
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6-5-7(13-9(11)12-6)8(15)14-10(2,3)4/h5H,1-4H3,(H,14,15)
InChIKeyZPCVBKSOLUTGFY-UHFFFAOYSA-N
XLogP1.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-chloro-6-methylpyrimidine-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

Related Compounds

N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332770
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
CID 114219723
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
N-tert-butyl-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109332844
N-tert-butyl-2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332746

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide (CID 102538215) is N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nc(Cl)n1.
What is the InChIKey of N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZPCVBKSOLUTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-5-7(13-9(11)12-6)8(15)14-10(2,3)4/h5H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide?
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 102538215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).