4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H21N5O2 — CID 80853747

IUPAC4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CC3CCC2O3)nc(OC(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-7(2)19-13-17-11(14-3)16-12(18-13)15-9-6-8-4-5-10(9)20-8/h7-10H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyMDNKUKKSUDUMDT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.43
Rot. Bonds5

About 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80853747) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80853747
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CC3CCC2O3)nc(OC(C)C)n1
InChIInChI=1S/C13H21N5O2/c1-7(2)19-13-17-11(14-3)16-12(18-13)15-9-6-8-4-5-10(9)20-8/h7-10H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyMDNKUKKSUDUMDT-UHFFFAOYSA-N
XLogP1.43
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830426
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80925544
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclobutan-1-ol
CID 80921926
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138430
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
4-chloro-N-(2,3-dimethylcyclopentyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64920878
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
1-methyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 80714459
3,6-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-triazin-5-amine
CID 81038230

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80853747) is 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CC3CCC2O3)nc(OC(C)C)n1.
What is the InChIKey of 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MDNKUKKSUDUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-7(2)19-13-17-11(14-3)16-12(18-13)15-9-6-8-4-5-10(9)20-8/h7-10H,4-6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 279.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80853747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).