2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide

C12H19ClN4O2 — CID 114219723

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CN(C)C)nc(Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-5-9(16-11(13)15-8)10(18)14-6-12(2,19)7-17(3)4/h5,19H,6-7H2,1-4H3,(H,14,18)
InChIKeyYJEAZTJJXZAVMT-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.48
Rot. Bonds5

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 114219723) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
PubChem CID114219723
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)CN(C)C)nc(Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-8-5-9(16-11(13)15-8)10(18)14-6-12(2,19)7-17(3)4/h5,19H,6-7H2,1-4H3,(H,14,18)
InChIKeyYJEAZTJJXZAVMT-UHFFFAOYSA-N
XLogP0.48
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-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

2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
CID 114219727
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 103840031
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-fluoropyridine-3-carboxamide
CID 103940270
3,5-diamino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139483
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
1-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide (CID 114219723) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(C)(O)CN(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is YJEAZTJJXZAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-8-5-9(16-11(13)15-8)10(18)14-6-12(2,19)7-17(3)4/h5,19H,6-7H2,1-4H3,(H,14,18).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).