6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine

C8H16N6 — CID 130568154

IUPAC6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(CN)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6/c1-4(2)5(3-9)6-12-7(10)14-8(11)13-6/h4-5H,3,9H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyDQLHBDSKCLQERJ-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.27
Rot. Bonds3

About 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine

6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130568154) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130568154
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)C(CN)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6/c1-4(2)5(3-9)6-12-7(10)14-8(11)13-6/h4-5H,3,9H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyDQLHBDSKCLQERJ-UHFFFAOYSA-N
XLogP-0.27
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1-bromoethyl)-1,3,5-triazine-2,4-diamine
CID 21402743
4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
CID 123175019
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methylbutan-1-amine
CID 116990173
6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162483941
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
3-methyl-2-[4-(4-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903207
6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
(2R)-3-methyl-2-(6-methylpyridazin-3-yl)butan-1-amine
CID 96743407
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116903236
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 130568154) is 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)C(CN)c1nc(N)nc(N)n1.
What is the InChIKey of 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DQLHBDSKCLQERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-4(2)5(3-9)6-12-7(10)14-8(11)13-6/h4-5H,3,9H2,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 196.26 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130568154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).