6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine

C15H29N5O4 — CID 150268397

IUPAC6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOC(C)COC(C)COC(C)COCCc1nc(N)nc(N)n1
InChIInChI=1S/C15H29N5O4/c1-10(21-4)8-23-12(3)9-24-11(2)7-22-6-5-13-18-14(16)20-15(17)19-13/h10-12H,5-9H2,1-4H3,(H4,16,17,18,19,20)
InChIKeyGDAPEAFDPHUUGW-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.44
Rot. Bonds12

About 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine

6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 150268397) has the molecular formula C15H29N5O4 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID150268397
Molecular FormulaC15H29N5O4
Molecular Weight343.43 g/mol
Exact Mass343.22
IUPAC Name6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCOC(C)COC(C)COC(C)COCCc1nc(N)nc(N)n1
InChIInChI=1S/C15H29N5O4/c1-10(21-4)8-23-12(3)9-24-11(2)7-22-6-5-13-18-14(16)20-15(17)19-13/h10-12H,5-9H2,1-4H3,(H4,16,17,18,19,20)
InChIKeyGDAPEAFDPHUUGW-UHFFFAOYSA-N
XLogP0.44
TPSA127.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 3481315
6-[2-[1-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 141091596
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
6-(3-methoxy-2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112681519
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-(2-methoxypropoxy)propane
CID 158788669
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
CID 162272100
CID 162272100
(2R)-1-[(2R)-1-[(2R)-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine
CID 157049295
2-(2-hydroxyethoxy)ethanol;1-methoxy-2-(2-methoxypropoxy)propane
CID 175459018
2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
CID 56624866
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 87903083

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine (CID 150268397) is 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine is COC(C)COC(C)COC(C)COCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GDAPEAFDPHUUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O4/c1-10(21-4)8-23-12(3)9-24-11(2)7-22-6-5-13-18-14(16)20-15(17)19-13/h10-12H,5-9H2,1-4H3,(H4,16,17,18,19,20).
What are the key properties of 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.43 g/mol, XLogP of 0.44, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-(2-methoxypropoxy)propoxy]propoxy]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 150268397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).