2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C6H12N6 — CID 19357503

IUPAC2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NC)n1
InChIInChI=1S/C6H12N6/c1-3-9-6-11-4(7)10-5(8-2)12-6/h3H2,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyVZJOGDYZRPMGSG-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 19357503) has the molecular formula C6H12N6 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID19357503
Molecular FormulaC6H12N6
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NC)n1
InChIInChI=1S/C6H12N6/c1-3-9-6-11-4(7)10-5(8-2)12-6/h3H2,1-2H3,(H4,7,8,9,10,11,12)
InChIKeyVZJOGDYZRPMGSG-UHFFFAOYSA-N
XLogP-0.07
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
6-(chloromethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 163643487
6-(bromomethyl)-2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 163618571
2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 130532627
2-N-[[[4-(ethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-N-pentyl-1,3,5-triazine-2,4,6-triamine
CID 146588416
5-[[4-[5-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460958
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
CID 91501774
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
ethylphosphonic acid;bis(2-N-methyl-1,3,5-triazine-2,4,6-triamine)
CID 173065956
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804
2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[4-(methylamino)-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-pentylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-pentylsulfanyl-1,3,5-triazine-2,4-diamine
CID 118933409

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 19357503) is 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N)nc(NC)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VZJOGDYZRPMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6/c1-3-9-6-11-4(7)10-5(8-2)12-6/h3H2,1-2H3,(H4,7,8,9,10,11,12).
What are the key properties of 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 168.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19357503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).