5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C13H19ClN4O2 — CID 62014799

IUPAC5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)12-15-6-9(14)11(16-12)13(20)18(5)7-10(19)17(3)4/h6,8H,7H2,1-5H3
InChIKeyCLFJQUJIFWZQOC-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.41
Rot. Bonds4

About 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62014799) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62014799
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)CC(=O)N(C)C)n1
InChIInChI=1S/C13H19ClN4O2/c1-8(2)12-15-6-9(14)11(16-12)13(20)18(5)7-10(19)17(3)4/h6,8H,7H2,1-5H3
InChIKeyCLFJQUJIFWZQOC-UHFFFAOYSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858496
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014792
N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 103101766
methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
CID 62016564
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62014799) is 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)N(C)CC(=O)N(C)C)n1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is CLFJQUJIFWZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-8(2)12-15-6-9(14)11(16-12)13(20)18(5)7-10(19)17(3)4/h6,8H,7H2,1-5H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).