4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

C18H14Cl2N2OS — CID 1476690

IUPAC4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-11-14-10-17(24-16-8-7-13(19)9-15(16)20)22-18(21-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyCQEVQPZFCKSXQH-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.75
Rot. Bonds5

About 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 1476690) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID1476690
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-11-14-10-17(24-16-8-7-13(19)9-15(16)20)22-18(21-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyCQEVQPZFCKSXQH-UHFFFAOYSA-N
XLogP5.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (CID 1476690) is 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(Sc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is CQEVQPZFCKSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-23-11-14-10-17(24-16-8-7-13(19)9-15(16)20)22-18(21-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 377.30 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 1476690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).