4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine

C14H8Cl2N2S — CID 151513214

IUPAC4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
SMILESClc1cc(Cl)nc(-c2sccc2-c2ccccc2)n1
InChIInChI=1S/C14H8Cl2N2S/c15-11-8-12(16)18-14(17-11)13-10(6-7-19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyPSXKOYOOTPLYOK-UHFFFAOYSA-N
MW307.21 g/mol
LogP5.18
Rot. Bonds2

About 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine

4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine (PubChem CID 151513214) has the molecular formula C14H8Cl2N2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
PubChem CID151513214
Molecular FormulaC14H8Cl2N2S
Molecular Weight307.21 g/mol
Exact Mass305.98
IUPAC Name4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
SMILESClc1cc(Cl)nc(-c2sccc2-c2ccccc2)n1
InChIInChI=1S/C14H8Cl2N2S/c15-11-8-12(16)18-14(17-11)13-10(6-7-19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyPSXKOYOOTPLYOK-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.21
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
CID 58130450
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
CID 101018673
2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
CID 112559720
2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
CID 139840485
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
6-chloro-2-phenyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 115914722

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine (CID 151513214) is 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine is Clc1cc(Cl)nc(-c2sccc2-c2ccccc2)n1.
What is the InChIKey of 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine?
The InChIKey is PSXKOYOOTPLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2S/c15-11-8-12(16)18-14(17-11)13-10(6-7-19-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine?
4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine has a molecular weight of 307.21 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 151513214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).