6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

C13H16ClN3S — CID 80940733

IUPAC6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2cccs2)n1
InChIInChI=1S/C13H16ClN3S/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h4,6-9H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyJMEWGOYBFIIHGT-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.32
Rot. Bonds5

About 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine

6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 80940733) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID80940733
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)c2cccs2)n1
InChIInChI=1S/C13H16ClN3S/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h4,6-9H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyJMEWGOYBFIIHGT-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80940901
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955
3-propyl-N-(1-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271045
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
4-[1-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192790
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941712
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine (CID 80940733) is 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)c2cccs2)n1.
What is the InChIKey of 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is JMEWGOYBFIIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-3-5-12-16-11(14)8-13(17-12)15-9(2)10-6-4-7-18-10/h4,6-9H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine?
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80940733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).