6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine

C12H14ClN3S — CID 54965289

IUPAC6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(C(C)Nc2cc(Cl)ncn2)c(C)s1
InChIInChI=1S/C12H14ClN3S/c1-7-4-10(9(3)17-7)8(2)16-12-5-11(13)14-6-15-12/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyJXMZTGQIKCYITJ-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.98
Rot. Bonds3

About 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine

6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 54965289) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
PubChem CID54965289
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(C(C)Nc2cc(Cl)ncn2)c(C)s1
InChIInChI=1S/C12H14ClN3S/c1-7-4-10(9(3)17-7)8(2)16-12-5-11(13)14-6-15-12/h4-6,8H,1-3H3,(H,14,15,16)
InChIKeyJXMZTGQIKCYITJ-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine (CID 54965289) is 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine is Cc1cc(C(C)Nc2cc(Cl)ncn2)c(C)s1.
What is the InChIKey of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JXMZTGQIKCYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-7-4-10(9(3)17-7)8(2)16-12-5-11(13)14-6-15-12/h4-6,8H,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 267.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 54965289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).