N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine

C12H21N5S2 — CID 167281211

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(NCC2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C12H21N5S2/c1-17-6-4-9(5-7-17)8-13-10-14-11(18-2)16-12(15-10)19-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyFEDCHHNSXSRCLC-UHFFFAOYSA-N
MW299.47 g/mol
LogP2.07
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine

N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 167281211) has the molecular formula C12H21N5S2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID167281211
Molecular FormulaC12H21N5S2
Molecular Weight299.47 g/mol
Exact Mass299.12
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(NCC2CCN(C)CC2)nc(SC)n1
InChIInChI=1S/C12H21N5S2/c1-17-6-4-9(5-7-17)8-13-10-14-11(18-2)16-12(15-10)19-3/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyFEDCHHNSXSRCLC-UHFFFAOYSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-2-amine
CID 115355062
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114517029
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 79507617
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
3,5-difluoro-6-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114073108
6-chloro-2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80790390
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
2-N-ethyl-5-fluoro-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812414

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine (CID 167281211) is N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine is CSc1nc(NCC2CCN(C)CC2)nc(SC)n1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is FEDCHHNSXSRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S2/c1-17-6-4-9(5-7-17)8-13-10-14-11(18-2)16-12(15-10)19-3/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine?
N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 299.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 167281211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).