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

C9H17N5O — CID 2173744

IUPAC4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C9H17N5O/c1-4-6-11-8-12-7(10-5-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyIFOHPPLTDPGSFV-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.13
Rot. Bonds6

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

4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 2173744) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID2173744
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C9H17N5O/c1-4-6-11-8-12-7(10-5-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14)
InChIKeyIFOHPPLTDPGSFV-UHFFFAOYSA-N
XLogP1.13
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Prometon
CID 4928
Atraton
CID 15359
Terbumeton
CID 36584
Secbumeton
CID 33443
Simeton
CID 12654
Sebuthylazine
CID 23712
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-Ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-propyl-cyanamide
CID 651563
[4-(Butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]methylcyanamide
CID 657554

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 2173744) is 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IFOHPPLTDPGSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-6-11-8-12-7(10-5-2)13-9(14-8)15-3/h4-6H2,1-3H3,(H2,10,11,12,13,14).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2173744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).