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

C12H20N4O — CID 65093697

IUPAC4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-17-8-4-7-10-14-11(16-12(13)15-10)9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyGMGCSAWBOOCRIM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.69
Rot. Bonds5

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

4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine (PubChem CID 65093697) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine
PubChem CID65093697
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine
SMILESCOCCCc1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-17-8-4-7-10-14-11(16-12(13)15-10)9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyGMGCSAWBOOCRIM-UHFFFAOYSA-N
XLogP1.69
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.69
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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Related Compounds

4-cyclopentyl-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 164636107
4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
4-cyclopentyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341517
2-N,4-N-bis(butoxymethyl)-6-cyclopentyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341523
6-cyclopentyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341525
N-(butoxymethyl)-4-ethyl-N-(methoxymethyl)-6-(3-methylcyclopentyl)-1,3,5-triazin-2-amine
CID 58341528
2-N,2-N,4-N-tris(butoxymethyl)-6-cyclopentyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 66686175
2-N,2-N-bis(butoxymethyl)-6-cyclopentyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 117792769
4-Ethoxy-6-(2-ethylhexyl)-1,3,5-triazin-2-amine
CID 175220818
4-Cyclopentyl-6-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 55251401
4-Tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63867152

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine (CID 65093697) is 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine is COCCCc1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The InChIKey is GMGCSAWBOOCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-17-8-4-7-10-14-11(16-12(13)15-10)9-5-2-3-6-9/h9H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(3-methoxypropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65093697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).