2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine

C14H15ClN4OS — CID 62865626

IUPAC2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1ccccc1Sc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H15ClN4OS/c1-20-10-6-2-3-7-11(10)21-14-17-12(15)16-13(18-14)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyJVKYDUXOPDPWIL-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62865626) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62865626
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1ccccc1Sc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H15ClN4OS/c1-20-10-6-2-3-7-11(10)21-14-17-12(15)16-13(18-14)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyJVKYDUXOPDPWIL-UHFFFAOYSA-N
XLogP3.29
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
2-chloro-4-(2-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazine
CID 62867554
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441
2-benzylsulfanyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 62867380
4-(2-methylphenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873141
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
CID 104603389
2-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazine
CID 62866344
2-chloro-4-(2-methylpropylsulfanyl)-6-piperidin-1-yl-1,3,5-triazine
CID 62868055
2-chloro-4-(4-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868780
3-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 66136130
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62865626) is 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine is COc1ccccc1Sc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is JVKYDUXOPDPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c1-20-10-6-2-3-7-11(10)21-14-17-12(15)16-13(18-14)19-8-4-5-9-19/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 322.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62865626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).