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

C13H24N6O2 — CID 80808783

IUPAC4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCCOC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H24N6O2/c1-14-11-15-12(18(2)5-4-8-20-3)17-13(16-11)19-6-9-21-10-7-19/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyAORMMRILQNRUNX-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.22
Rot. Bonds7

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

4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80808783) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80808783
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)CCCOC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H24N6O2/c1-14-11-15-12(18(2)5-4-8-20-3)17-13(16-11)19-6-9-21-10-7-19/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyAORMMRILQNRUNX-UHFFFAOYSA-N
XLogP0.22
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80773312
2-N,4-N-dimethyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773892
N-butyl-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80916546
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
4-N-butyl-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80753745
4-N-butyl-4-N-ethyl-2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80756096
4-N-ethyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773862
4-N-methyl-6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80772544
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
4-N-(2-ethoxyethyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 81064691
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80808783) is 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)CCCOC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AORMMRILQNRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-14-11-15-12(18(2)5-4-8-20-3)17-13(16-11)19-6-9-21-10-7-19/h4-10H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.38 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-2-N,4-N-dimethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80808783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).