6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine

C19H30N6 — CID 134533313

IUPAC6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)Nc1cccc(Nc2nc(N)nc(C(C)(C)CC)n2)c1
InChIInChI=1S/C19H30N6/c1-7-18(3,4)15-22-16(20)24-17(23-15)21-13-10-9-11-14(12-13)25-19(5,6)8-2/h9-12,25H,7-8H2,1-6H3,(H3,20,21,22,23,24)
InChIKeyJIDKBTVYHOAJET-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.49
Rot. Bonds7

About 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine

6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 134533313) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID134533313
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)Nc1cccc(Nc2nc(N)nc(C(C)(C)CC)n2)c1
InChIInChI=1S/C19H30N6/c1-7-18(3,4)15-22-16(20)24-17(23-15)21-13-10-9-11-14(12-13)25-19(5,6)8-2/h9-12,25H,7-8H2,1-6H3,(H3,20,21,22,23,24)
InChIKeyJIDKBTVYHOAJET-UHFFFAOYSA-N
XLogP4.49
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 4688948
3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]benzenethiol
CID 167276914
6-tert-butyl-2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 167767387
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine (CID 134533313) is 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine is CCC(C)(C)Nc1cccc(Nc2nc(N)nc(C(C)(C)CC)n2)c1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JIDKBTVYHOAJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-7-18(3,4)15-22-16(20)24-17(23-15)21-13-10-9-11-14(12-13)25-19(5,6)8-2/h9-12,25H,7-8H2,1-6H3,(H3,20,21,22,23,24).
What are the key properties of 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine?
6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-2-N-[3-(2-methylbutan-2-ylamino)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134533313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).