5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide

C14H16ClN3OS — CID 47459215

IUPAC5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2cccs2)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyUZPSDPFABRDPNU-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.29
Rot. Bonds5

About 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide

5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide (PubChem CID 47459215) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
PubChem CID47459215
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCc2cccs2)n1
InChIInChI=1S/C14H16ClN3OS/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyUZPSDPFABRDPNU-UHFFFAOYSA-N
XLogP3.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

thiophen-2-ylmethyl 5-chloro-2-propan-2-ylpyrimidine-4-carboxylate
CID 62047338
5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459211
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
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858726
N-(2-but-3-enoxyethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 103855729
6-(2-thiophen-2-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427327
N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 110699104
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide (CID 47459215) is 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCc2cccs2)n1.
What is the InChIKey of 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is UZPSDPFABRDPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9(2)13-17-8-11(15)12(18-13)14(19)16-6-5-10-4-3-7-20-10/h3-4,7-9H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 47459215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).