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

C12H23N5O — CID 80776462

IUPAC4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1nc(NCC)nc(OC)n1)C(C)C
InChIInChI=1S/C12H23N5O/c1-6-8-17(9(3)4)11-14-10(13-7-2)15-12(16-11)18-5/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyUFJXQIUBUUJMEB-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.94
Rot. Bonds7

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

4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80776462) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80776462
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(c1nc(NCC)nc(OC)n1)C(C)C
InChIInChI=1S/C12H23N5O/c1-6-8-17(9(3)4)11-14-10(13-7-2)15-12(16-11)18-5/h9H,6-8H2,1-5H3,(H,13,14,15,16)
InChIKeyUFJXQIUBUUJMEB-UHFFFAOYSA-N
XLogP1.94
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
2-N-butan-2-yl-2-N-butyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80820590
2-N-butan-2-yl-4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821053
2-N,2-N-dibutyl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80753763
2-N-cyclopropyl-4-N-ethyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774290
4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
2-N-(3,3-dimethylbutan-2-yl)-4-N-ethyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815170
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80787122
2-N-(cyclopropylmethyl)-6-ethoxy-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820904
2-N,4-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 53431514
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80776462) is 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(c1nc(NCC)nc(OC)n1)C(C)C.
What is the InChIKey of 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UFJXQIUBUUJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-8-17(9(3)4)11-14-10(13-7-2)15-12(16-11)18-5/h9H,6-8H2,1-5H3,(H,13,14,15,16).
What are the key properties of 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methoxy-2-N-propan-2-yl-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80776462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).