6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine

C16H14ClN3S — CID 107361110

IUPAC6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3S/c1-2-18-14-10-13(15-12(17)8-9-21-15)19-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyXIQLKZXRKZZXQI-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.96
Rot. Bonds4

About 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine

6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine (PubChem CID 107361110) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
PubChem CID107361110
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(-c2sccc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3S/c1-2-18-14-10-13(15-12(17)8-9-21-15)19-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyXIQLKZXRKZZXQI-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine (CID 107361110) is 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine is CCNc1cc(-c2sccc2Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine?
The InChIKey is XIQLKZXRKZZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-2-18-14-10-13(15-12(17)8-9-21-15)19-16(20-14)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine?
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine has a molecular weight of 315.83 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 107361110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).