6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

C14H20N6S — CID 80772845

IUPAC6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H20N6S/c15-12-17-13(16-7-6-11-5-4-10-21-11)19-14(18-12)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H3,15,16,17,18,19)
InChIKeyYZRBKMKPRCWLJV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.16
Rot. Bonds5

About 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine

6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80772845) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80772845
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C14H20N6S/c15-12-17-13(16-7-6-11-5-4-10-21-11)19-14(18-12)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H3,15,16,17,18,19)
InChIKeyYZRBKMKPRCWLJV-UHFFFAOYSA-N
XLogP2.16
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106412293
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
6-piperidin-1-yl-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828963
2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetic acid
CID 162425113
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834981
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80772845) is 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCc2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YZRBKMKPRCWLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c15-12-17-13(16-7-6-11-5-4-10-21-11)19-14(18-12)20-8-2-1-3-9-20/h4-5,10H,1-3,6-9H2,(H3,15,16,17,18,19).
What are the key properties of 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine?
6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).