3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide

C9H16N6O2 — CID 114143236

IUPAC3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCOc1nc(N)nc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C9H16N6O2/c1-9(2,4-5(10)16)15-7-12-6(11)13-8(14-7)17-3/h4H2,1-3H3,(H2,10,16)(H3,11,12,13,14,15)
InChIKeySTDKJWRFJDKQQC-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.47
Rot. Bonds5

About 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide

3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (PubChem CID 114143236) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
PubChem CID114143236
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
SMILESCOc1nc(N)nc(NC(C)(C)CC(N)=O)n1
InChIInChI=1S/C9H16N6O2/c1-9(2,4-5(10)16)15-7-12-6(11)13-8(14-7)17-3/h4H2,1-3H3,(H2,10,16)(H3,11,12,13,14,15)
InChIKeySTDKJWRFJDKQQC-UHFFFAOYSA-N
XLogP-0.47
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150060
6-methoxy-2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80849425
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-N-propan-2-ylpropanamide
CID 113411167
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 106097326
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
4-hydrazinyl-6-methoxy-N-(2-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80920216
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842933
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106098081
N-[2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787981
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
CID 114143219

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide (CID 114143236) is 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is COc1nc(N)nc(NC(C)(C)CC(N)=O)n1.
What is the InChIKey of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
The InChIKey is STDKJWRFJDKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-9(2,4-5(10)16)15-7-12-6(11)13-8(14-7)17-3/h4H2,1-3H3,(H2,10,16)(H3,11,12,13,14,15).
What are the key properties of 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide?
3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide has a molecular weight of 240.27 g/mol, XLogP of -0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 114143236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).