6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C12H16N6 — CID 18126026

IUPAC6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNC(C)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H16N6/c1-8(14-2)10-16-11(13)18-12(17-10)15-9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H3,13,15,16,17,18)
InChIKeySPKWFTZWHSHTBN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds4

About 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 18126026) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID18126026
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCNC(C)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H16N6/c1-8(14-2)10-16-11(13)18-12(17-10)15-9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H3,13,15,16,17,18)
InChIKeySPKWFTZWHSHTBN-UHFFFAOYSA-N
XLogP1.48
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25329937
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
6-[(1S)-1-(3-phenoxypropylsulfanyl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 41016265
2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 35016466
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24560839
6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25408804
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897

Frequently Asked Questions

What is the IUPAC name of 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 18126026) is 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CNC(C)c1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SPKWFTZWHSHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-8(14-2)10-16-11(13)18-12(17-10)15-9-6-4-3-5-7-9/h3-8,14H,1-2H3,(H3,13,15,16,17,18).
What are the key properties of 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18126026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).