4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C12H24N6O — CID 80837976

IUPAC4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(COC)Nc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-6-7-9(8-19-5)14-11-15-10(13-2)16-12(17-11)18(3)4/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyDZPJPEZLXXPANF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.21
Rot. Bonds8

About 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80837976) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80837976
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(COC)Nc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-6-7-9(8-19-5)14-11-15-10(13-2)16-12(17-11)18(3)4/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyDZPJPEZLXXPANF-UHFFFAOYSA-N
XLogP1.21
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026
2-N-hexan-3-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80818293
2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80827536
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118510
4-N-(2-ethoxyethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80793588
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
2-N,4-N,4-N,6-N-tetramethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80774094
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80837976) is 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CCCC(COC)Nc1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DZPJPEZLXXPANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-6-7-9(8-19-5)14-11-15-10(13-2)16-12(17-11)18(3)4/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 268.36 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80837976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).