6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H17N5O — CID 80866087

IUPAC6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H17N5O/c1-5-6(2)15-9-12-7(10)11-8(13-9)14(3)4/h6H,5H2,1-4H3,(H2,10,11,12,13)
InChIKeyOWPRXRUXQHRGQQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.70
Rot. Bonds4

About 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80866087) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80866087
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H17N5O/c1-5-6(2)15-9-12-7(10)11-8(13-9)14(3)4/h6H,5H2,1-4H3,(H2,10,11,12,13)
InChIKeyOWPRXRUXQHRGQQ-UHFFFAOYSA-N
XLogP0.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-butan-2-yloxy-6-ethoxy-1,3,5-triazin-2-amine
CID 80867376
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
2-N,2-N-dimethyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 106451415
2-N,4-N,4-N-trimethyl-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80810743
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80820612
2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838818
6-ethoxy-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792073
4-hydrazinyl-N,N-dimethyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989750
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 27396198
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
CID 80861351
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80866087) is 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCC(C)Oc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OWPRXRUXQHRGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5-6(2)15-9-12-7(10)11-8(13-9)14(3)4/h6H,5H2,1-4H3,(H2,10,11,12,13).
What are the key properties of 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80866087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).