4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C10H18N4O — CID 65093647

IUPAC4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-8(5-4-6-15-3)13-10(11)14-9/h7H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyRDSSFYLKVQLLHK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.16
Rot. Bonds5

About 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 65093647) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID65093647
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C10H18N4O/c1-7(2)9-12-8(5-4-6-15-3)13-10(11)14-9/h7H,4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyRDSSFYLKVQLLHK-UHFFFAOYSA-N
XLogP1.16
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 65093647) is 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine is COCCCc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is RDSSFYLKVQLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9-12-8(5-4-6-15-3)13-10(11)14-9/h7H,4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65093647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).