2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C12H22N6O2 — CID 80844752

IUPAC2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCC(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-9(3-6-19-2)14-11-15-10(13)16-12(17-11)18-4-7-20-8-5-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNXEOPZMEPBJCCG-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.13
Rot. Bonds6

About 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80844752) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80844752
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOCCC(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H22N6O2/c1-9(3-6-19-2)14-11-15-10(13)16-12(17-11)18-4-7-20-8-5-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyNXEOPZMEPBJCCG-UHFFFAOYSA-N
XLogP0.13
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133
4-chloro-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80803084
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 80852828
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193
4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868604

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80844752) is 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COCCC(C)Nc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NXEOPZMEPBJCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-9(3-6-19-2)14-11-15-10(13)16-12(17-11)18-4-7-20-8-5-18/h9H,3-8H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 282.35 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).