4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 80826231

IUPAC4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC2CC2C)n1
InChIInChI=1S/C12H21N5O/c1-4-6-18-12-16-10(13-5-2)15-11(17-12)14-9-7-8(9)3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPZXPMECDQAQAEY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds7

About 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80826231) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80826231
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NCC)nc(NC2CC2C)n1
InChIInChI=1S/C12H21N5O/c1-4-6-18-12-16-10(13-5-2)15-11(17-12)14-9-7-8(9)3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPZXPMECDQAQAEY-UHFFFAOYSA-N
XLogP1.91
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,3-dimethylcyclopentyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80840526
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
4-N-ethyl-6-methoxy-2-N-(2-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 80830005
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
2-N-(1,3-dimethylpiperidin-4-yl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 114506403
2-N-(1-cyclopentylethyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80821468
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
4-N-ethyl-6-methoxy-2-N-(2-methylcycloheptyl)-1,3,5-triazine-2,4-diamine
CID 80847841

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80826231) is 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NCC)nc(NC2CC2C)n1.
What is the InChIKey of 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is PZXPMECDQAQAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-6-18-12-16-10(13-5-2)15-11(17-12)14-9-7-8(9)3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80826231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).