2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide

C13H20ClN3O2 — CID 114219727

IUPAC2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-13(5-2,8-18)7-15-11(19)10-6-9(3)16-12(14)17-10/h6,18H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyHUNRRKFEIVJLDV-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.97
Rot. Bonds6

About 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide

2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 114219727) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
PubChem CID114219727
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-13(5-2,8-18)7-15-11(19)10-6-9(3)16-12(14)17-10/h6,18H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyHUNRRKFEIVJLDV-UHFFFAOYSA-N
XLogP1.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 162574364
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-methylpyrimidine-4-carboxamide
CID 114219723
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-4-carboxamide
CID 103843602
3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide
CID 103843375
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
CID 114219515
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103843189
2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114219521
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide (CID 114219727) is 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide is CCC(CC)(CO)CNC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is HUNRRKFEIVJLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-13(5-2,8-18)7-15-11(19)10-6-9(3)16-12(14)17-10/h6,18H,4-5,7-8H2,1-3H3,(H,15,19).
What are the key properties of 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide?
2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).