4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H17N5OS — CID 80883602

IUPAC4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccccc1Sc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H17N5OS/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,(H2,15,16,17,18)
InChIKeySAVJUISSOKETEZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.21
Rot. Bonds4

About 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80883602) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80883602
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccccc1Sc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H17N5OS/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,(H2,15,16,17,18)
InChIKeySAVJUISSOKETEZ-UHFFFAOYSA-N
XLogP2.21
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80883602) is 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1ccccc1Sc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SAVJUISSOKETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/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,(H2,15,16,17,18).
What are the key properties of 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 303.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).