5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide

C14H16ClN3OS — CID 47459211

IUPAC5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C14H16ClN3OS/c1-8(2)13-16-7-10(15)12(18-13)14(19)17-9(3)11-5-4-6-20-11/h4-9H,1-3H3,(H,17,19)
InChIKeyJQICHVDILYVEAK-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.81
Rot. Bonds4

About 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide

5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide (PubChem CID 47459211) 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-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
PubChem CID47459211
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC(C)c2cccs2)n1
InChIInChI=1S/C14H16ClN3OS/c1-8(2)13-16-7-10(15)12(18-13)14(19)17-9(3)11-5-4-6-20-11/h4-9H,1-3H3,(H,17,19)
InChIKeyJQICHVDILYVEAK-UHFFFAOYSA-N
XLogP3.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
5-chloro-2-propan-2-yl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-4-carboxamide
CID 95784692
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide (CID 47459211) is 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NC(C)c2cccs2)n1.
What is the InChIKey of 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is JQICHVDILYVEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8(2)13-16-7-10(15)12(18-13)14(19)17-9(3)11-5-4-6-20-11/h4-9H,1-3H3,(H,17,19).
What are the key properties of 5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide?
5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.81, 4 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-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 47459211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).