2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C7H13N5O — CID 80770839

IUPAC2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C7H13N5O/c1-4-9-6-10-5(8-2)11-7(12-6)13-3/h4H2,1-3H3,(H2,8,9,10,11,12)
InChIKeyKOOIKHHKNJHIBS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.35
Rot. Bonds4

About 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80770839) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80770839
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC)nc(OC)n1
InChIInChI=1S/C7H13N5O/c1-4-9-6-10-5(8-2)11-7(12-6)13-3/h4H2,1-3H3,(H2,8,9,10,11,12)
InChIKeyKOOIKHHKNJHIBS-UHFFFAOYSA-N
XLogP0.35
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Simazine
CID 5216
Prometon
CID 4928
Deisopropylatrazine
CID 13878
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Simeton
CID 12654
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831
6-Methoxy-N2-methyl-N4-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18212
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

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80770839) is 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NC)nc(OC)n1.
What is the InChIKey of 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KOOIKHHKNJHIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4-9-6-10-5(8-2)11-7(12-6)13-3/h4H2,1-3H3,(H2,8,9,10,11,12).
What are the key properties of 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 183.21 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80770839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).