2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C13H26N6O — CID 80815568

IUPAC2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-7-8-20-12-17-10(14-4)16-11(18-12)15-9-13(2,3)19(5)6/h7-9H2,1-6H3,(H2,14,15,16,17,18)
InChIKeyMISUAILSVRCQQJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.45
Rot. Bonds8

About 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80815568) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80815568
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-7-8-20-12-17-10(14-4)16-11(18-12)15-9-13(2,3)19(5)6/h7-9H2,1-6H3,(H2,14,15,16,17,18)
InChIKeyMISUAILSVRCQQJ-UHFFFAOYSA-N
XLogP1.45
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80812370
1-N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 80902362
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
4-[2-(dimethylamino)-2-methylpropoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878227
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861625
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783446
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80815568) is 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCC(C)(C)N(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MISUAILSVRCQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-7-8-20-12-17-10(14-4)16-11(18-12)15-9-13(2,3)19(5)6/h7-9H2,1-6H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).