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

C14H20N6S — CID 80774971

IUPAC4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cccs1)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C14H20N6S/c1-19(10-11-6-5-9-21-11)13-16-12(15)17-14(18-13)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyBLYIMZMETQCMOF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.14
Rot. Bonds4

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

4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80774971) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80774971
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cccs1)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C14H20N6S/c1-19(10-11-6-5-9-21-11)13-16-12(15)17-14(18-13)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyBLYIMZMETQCMOF-UHFFFAOYSA-N
XLogP2.14
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-piperidin-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772845
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 80754225
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80778498
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
N,6-dimethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731013
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80774971) is 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(Cc1cccs1)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BLYIMZMETQCMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-19(10-11-6-5-9-21-11)13-16-12(15)17-14(18-13)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).