5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H26ClN3O — CID 102904944

IUPAC5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-9(2)12(10(3)4)7-19-16(21)14-13(17)8-18-15(20-14)11(5)6/h8-12H,7H2,1-6H3,(H,19,21)
InChIKeyHAIZJZCTPVFOPM-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.91
Rot. Bonds6

About 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 102904944) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID102904944
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCC(C(C)C)C(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-9(2)12(10(3)4)7-19-16(21)14-13(17)8-18-15(20-14)11(5)6/h8-12H,7H2,1-6H3,(H,19,21)
InChIKeyHAIZJZCTPVFOPM-UHFFFAOYSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103770528
5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009834
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79249652
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79250102
5-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103824573
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 102904944) is 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCC(C(C)C)C(C)C)n1.
What is the InChIKey of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HAIZJZCTPVFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-9(2)12(10(3)4)7-19-16(21)14-13(17)8-18-15(20-14)11(5)6/h8-12H,7H2,1-6H3,(H,19,21).
What are the key properties of 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 102904944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).