N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C12H23N5O2 — CID 55135506

IUPACN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1nc(OC)nc(N(C)CCNCC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-9(2)8-13-6-7-17(3)10-14-11(18-4)16-12(15-10)19-5/h9,13H,6-8H2,1-5H3
InChIKeyYKRLZZRJNJMBPD-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.57
Rot. Bonds8

About N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 55135506) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID55135506
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1nc(OC)nc(N(C)CCNCC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-9(2)8-13-6-7-17(3)10-14-11(18-4)16-12(15-10)19-5/h9,13H,6-8H2,1-5H3
InChIKeyYKRLZZRJNJMBPD-UHFFFAOYSA-N
XLogP0.57
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Terbumeton
CID 36584
Secbumeton
CID 33443
2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
CID 18152
[4-(Butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 657554
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-propyl-
CID 2173744
1,3,5-Triazine-2,4-diamine, N,N,N'-triethyl-6-methoxy-
CID 26094
4,6-dimethoxy-N-propyl-1,3,5-triazin-2-amine
CID 2056051
1,3,5-Triazine-2,4-diamine, 6-methoxy-N,N'-dipropyl-
CID 4185109
Butylamino-4-ethylamino-6-methoxy-s-triazine
CID 14877225
Methometon
CID 15677
2-Methoxy-4-n-propylamino-6-meth-oxyamino-sym-triazine
CID 129785098
2-Methoxy-4-di-n-propylamino-6-methoxyamino-sym-triazine
CID 129788983

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 55135506) is N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is COc1nc(OC)nc(N(C)CCNCC(C)C)n1.
What is the InChIKey of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YKRLZZRJNJMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-9(2)8-13-6-7-17(3)10-14-11(18-4)16-12(15-10)19-5/h9,13H,6-8H2,1-5H3.
What are the key properties of N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 269.35 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 55135506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).