4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H25N5O2 — CID 80818729

IUPAC4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCOCC2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-4-15-12-17-13(19-14(18-12)21-10(2)3)16-9-11-5-7-20-8-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHLONLYJUWAUMPU-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.93
Rot. Bonds7

About 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80818729) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80818729
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCOCC2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-4-15-12-17-13(19-14(18-12)21-10(2)3)16-9-11-5-7-20-8-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHLONLYJUWAUMPU-UHFFFAOYSA-N
XLogP1.93
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
4-(cyclopropylmethoxy)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80865601
2-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80770389
4-chloro-N-[(4-ethylcyclohexyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548907
4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80887761
4-(oxolan-3-yloxy)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80876739
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-ethyl-6-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845554
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
2-N,2-N,6-N-triethyl-4-N-(oxolan-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80804461
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814333

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80818729) is 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC2CCOCC2)nc(OC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is HLONLYJUWAUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-15-12-17-13(19-14(18-12)21-10(2)3)16-9-11-5-7-20-8-6-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(oxan-4-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).