2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine

C11H12ClN3S — CID 79426666

IUPAC2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C11H12ClN3S/c1-2-3-8-5-10(13)15-11(14-8)9-4-7(12)6-16-9/h4-6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyIIAYOQNINKIHEZ-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine

2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 79426666) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine
PubChem CID79426666
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(-c2cc(Cl)cs2)n1
InChIInChI=1S/C11H12ClN3S/c1-2-3-8-5-10(13)15-11(14-8)9-4-7(12)6-16-9/h4-6H,2-3H2,1H3,(H2,13,14,15)
InChIKeyIIAYOQNINKIHEZ-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62202996
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62201749
6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62202644
4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
CID 79428080
2-(furan-3-yl)-6-propylpyrimidin-4-amine
CID 63204623
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
CID 62201927
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 62797947
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
4-(4-amino-6-propylpyrimidin-2-yl)-2-fluorophenol
CID 136927532
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine (CID 79426666) is 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(-c2cc(Cl)cs2)n1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is IIAYOQNINKIHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-2-3-8-5-10(13)15-11(14-8)9-4-7(12)6-16-9/h4-6H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine?
2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 253.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 79426666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).