4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H16BrN5S — CID 80873438

IUPAC4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccc(Br)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5S/c1-16-12-17-13(20-8-2-3-9-20)19-14(18-12)21-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,17,18,19)
InChIKeyCGSIBXRFISNRLB-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.43
Rot. Bonds4

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

4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80873438) has the molecular formula C14H16BrN5S and a molecular weight of 366.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80873438
Molecular FormulaC14H16BrN5S
Molecular Weight366.29 g/mol
Exact Mass365.03
IUPAC Name4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccc(Br)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C14H16BrN5S/c1-16-12-17-13(20-8-2-3-9-20)19-14(18-12)21-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,17,18,19)
InChIKeyCGSIBXRFISNRLB-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80873934
N-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80894979
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736
4-methyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80882363
2-chloro-4-(4-fluorophenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865441
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
4-(4-bromothiophen-3-yl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79601588
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol
CID 80895143

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80873438) is 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(Sc2ccc(Br)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is CGSIBXRFISNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5S/c1-16-12-17-13(20-8-2-3-9-20)19-14(18-12)21-11-6-4-10(15)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,17,18,19).
What are the key properties of 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 366.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80873438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).