4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine

C14H18ClN5S — CID 63292587

IUPAC4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(Cc1cccs1)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H18ClN5S/c1-10(9-11-5-4-8-21-11)16-13-17-12(15)18-14(19-13)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17,18,19)
InChIKeyZAXIGEYQLGOUGM-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.23
Rot. Bonds5

About 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 63292587) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID63292587
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(Cc1cccs1)Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H18ClN5S/c1-10(9-11-5-4-8-21-11)16-13-17-12(15)18-14(19-13)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17,18,19)
InChIKeyZAXIGEYQLGOUGM-UHFFFAOYSA-N
XLogP3.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
2-N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949836
4-chloro-N-(1-methylsulfonylpropan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 64644222
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908
4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80898197
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326
4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
4-chloro-N-octan-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106028150
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine (CID 63292587) is 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine is CC(Cc1cccs1)Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZAXIGEYQLGOUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-10(9-11-5-4-8-21-11)16-13-17-12(15)18-14(19-13)20-6-2-3-7-20/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 323.85 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63292587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).