2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine

C14H20N6S — CID 80888456

IUPAC2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2ccncc2)nc(N(CC)CC)n1
InChIInChI=1S/C14H20N6S/c1-4-16-12-17-13(20(5-2)6-3)19-14(18-12)21-11-7-9-15-10-8-11/h7-10H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyZCNAXDRPOHNLAN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.70
Rot. Bonds7

About 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80888456) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80888456
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2ccncc2)nc(N(CC)CC)n1
InChIInChI=1S/C14H20N6S/c1-4-16-12-17-13(20(5-2)6-3)19-14(18-12)21-11-7-9-15-10-8-11/h7-10H,4-6H2,1-3H3,(H,16,17,18,19)
InChIKeyZCNAXDRPOHNLAN-UHFFFAOYSA-N
XLogP2.70
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887509
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80882617
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 106928502
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
6-[6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]disulfanyl]hexyldisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 110191274
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine (CID 80888456) is 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Sc2ccncc2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZCNAXDRPOHNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-4-16-12-17-13(20(5-2)6-3)19-14(18-12)21-11-7-9-15-10-8-11/h7-10H,4-6H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80888456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).