2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H25N5O2 — CID 80820286

IUPAC2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOC2CCCC2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-10(2)21-14-18-12(15-3)17-13(19-14)16-8-9-20-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDWVVVUBSTDECAB-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.07
Rot. Bonds8

About 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80820286) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80820286
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCOC2CCCC2)nc(OC(C)C)n1
InChIInChI=1S/C14H25N5O2/c1-10(2)21-14-18-12(15-3)17-13(19-14)16-8-9-20-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyDWVVVUBSTDECAB-UHFFFAOYSA-N
XLogP2.07
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
2-N-cyclobutyl-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80826015
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
N-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80787221
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138430
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837784
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106149849

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80820286) is 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(NCCOC2CCCC2)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DWVVVUBSTDECAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)21-14-18-12(15-3)17-13(19-14)16-8-9-20-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80820286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).