4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine

C14H12Cl2N2S — CID 66147650

IUPAC4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine
SMILESClc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C14H12Cl2N2S/c15-10-2-1-3-11(6-10)19-8-14-17-12(9-4-5-9)7-13(16)18-14/h1-3,6-7,9H,4-5,8H2
InChIKeyFQLHAIYWFCQOBX-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.95
Rot. Bonds4

About 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine

4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine (PubChem CID 66147650) has the molecular formula C14H12Cl2N2S and a molecular weight of 311.24 g/mol. Its IUPAC name is 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine
PubChem CID66147650
Molecular FormulaC14H12Cl2N2S
Molecular Weight311.24 g/mol
Exact Mass310.01
IUPAC Name4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine
SMILESClc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1
InChIInChI=1S/C14H12Cl2N2S/c15-10-2-1-3-11(6-10)19-8-14-17-12(9-4-5-9)7-13(16)18-14/h1-3,6-7,9H,4-5,8H2
InChIKeyFQLHAIYWFCQOBX-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-cyclopropyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 66087347
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66148751
3,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]pyridine
CID 63539043
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 66146663
2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine
CID 65136158
5-(chloromethyl)-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66147011
3-chloro-6-[(3-chlorophenyl)sulfanylmethyl]pyridazine
CID 104514370
[2-[(3-chlorophenyl)sulfanylmethyl]-6-propylpyrimidin-4-yl]hydrazine
CID 66146870
[5-[(3-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 66146673
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine (CID 66147650) is 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine is Clc1cccc(SCc2nc(Cl)cc(C3CC3)n2)c1.
What is the InChIKey of 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine?
The InChIKey is FQLHAIYWFCQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2S/c15-10-2-1-3-11(6-10)19-8-14-17-12(9-4-5-9)7-13(16)18-14/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine?
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine has a molecular weight of 311.24 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-cyclopropylpyrimidine is sourced from PubChem (CID 66147650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).