2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine

C10H17N3O2 — CID 102586830

IUPAC2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
SMILESCC[C@H](C)Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-5-7(2)6-8-11-9(14-3)13-10(12-8)15-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyPSRFARFCXJNNGQ-ZETCQYMHSA-N
MW211.26 g/mol
LogP1.48
Rot. Bonds5

About 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine

2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine (PubChem CID 102586830) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
PubChem CID102586830
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
SMILESCC[C@H](C)Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C10H17N3O2/c1-5-7(2)6-8-11-9(14-3)13-10(12-8)15-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyPSRFARFCXJNNGQ-ZETCQYMHSA-N
XLogP1.48
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dimethoxy-6-propan-2-yl-1,3,5-triazine
CID 86053141
2,4-Dimethoxy-6-(2-methylpropyl)-1,3,5-triazine
CID 86053140
2,4-Dimethoxy-6-tetradecyl-1,3,5-triazine
CID 21024307
2-Butyl-4,6-dimethoxy-1,3,5-triazine
CID 162413738
2-Hexyl-4,6-dimethoxy-1,3,5-triazine
CID 86053152
2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine
CID 101080048
2-Cyclopropyl-4,6-dimethoxy-1,3,5-triazine
CID 20199616
2-Tert-butyl-4,6-dimethoxy-1,3,5-triazine
CID 57559217
2-Methoxy-4-methyl-6-propan-2-yl-1,3,5-triazine
CID 58059709
6-cyclopentyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341525
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341526
2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 58341531

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine (CID 102586830) is 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine is CC[C@H](C)Cc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The InChIKey is PSRFARFCXJNNGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-7(2)6-8-11-9(14-3)13-10(12-8)15-4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine has a molecular weight of 211.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine is sourced from PubChem (CID 102586830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).