4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine

C16H19ClN2O2S — CID 846601

IUPAC4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine
SMILESCOc1nc(SC)nc(Cl)c1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-10(2)21-12-7-5-11(6-8-12)9-13-14(17)18-16(22-4)19-15(13)20-3/h5-8,10H,9H2,1-4H3
InChIKeySIOVMEHWMQQJJO-UHFFFAOYSA-N
MW338.86 g/mol
LogP4.24
Rot. Bonds6

About 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine

4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine (PubChem CID 846601) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine
PubChem CID846601
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine
SMILESCOc1nc(SC)nc(Cl)c1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-10(2)21-12-7-5-11(6-8-12)9-13-14(17)18-16(22-4)19-15(13)20-3/h5-8,10H,9H2,1-4H3
InChIKeySIOVMEHWMQQJJO-UHFFFAOYSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine (CID 846601) is 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine is COc1nc(SC)nc(Cl)c1Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine?
The InChIKey is SIOVMEHWMQQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-10(2)21-12-7-5-11(6-8-12)9-13-14(17)18-16(22-4)19-15(13)20-3/h5-8,10H,9H2,1-4H3.
What are the key properties of 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine?
4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine has a molecular weight of 338.86 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 846601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).