6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C14H25N5OS — CID 107298768

IUPAC6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CCSC2)nc(OCCC)n1
InChIInChI=1S/C14H25N5OS/c1-3-6-15-12-17-13(16-9-11-5-8-21-10-11)19-14(18-12)20-7-4-2/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFRAFKSLBOVWGNS-UHFFFAOYSA-N
MW311.46 g/mol
LogP2.65
Rot. Bonds9

About 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine

6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 107298768) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID107298768
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC2CCSC2)nc(OCCC)n1
InChIInChI=1S/C14H25N5OS/c1-3-6-15-12-17-13(16-9-11-5-8-21-10-11)19-14(18-12)20-7-4-2/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyFRAFKSLBOVWGNS-UHFFFAOYSA-N
XLogP2.65
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-(1-cyclopropylethyl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781052
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2,5-dimethyl-6-N-propyl-4-N-(thiolan-3-ylmethyl)pyrimidine-4,6-diamine
CID 107298770
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 107298768) is 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC2CCSC2)nc(OCCC)n1.
What is the InChIKey of 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FRAFKSLBOVWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-3-6-15-12-17-13(16-9-11-5-8-21-10-11)19-14(18-12)20-7-4-2/h11H,3-10H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 311.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-4-N-propyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107298768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).