6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine

C13H16ClN3S — CID 80933820

IUPAC6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(Cl)s2)nc(CC)n1
InChIInChI=1S/C13H16ClN3S/c1-3-7-15-13-8-9(16-12(4-2)17-13)10-5-6-11(14)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeySIUXKGOKMFLBDX-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.24
Rot. Bonds5

About 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine

6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80933820) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
PubChem CID80933820
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(Cl)s2)nc(CC)n1
InChIInChI=1S/C13H16ClN3S/c1-3-7-15-13-8-9(16-12(4-2)17-13)10-5-6-11(14)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeySIUXKGOKMFLBDX-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
2-ethyl-N-propyl-6-(3-propylphenyl)pyrimidin-4-amine
CID 116546086
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine (CID 80933820) is 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(Cl)s2)nc(CC)n1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is SIUXKGOKMFLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-3-7-15-13-8-9(16-12(4-2)17-13)10-5-6-11(14)18-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine?
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80933820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).