6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine

C10H16ClN5O — CID 80846277

IUPAC6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCCOC2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c11-8-14-9(12)16-10(15-8)13-5-6-17-7-3-1-2-4-7/h7H,1-6H2,(H3,12,13,14,15,16)
InChIKeyCBYAPVNTWPWAFA-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.48
Rot. Bonds5

About 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80846277) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80846277
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NCCOC2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c11-8-14-9(12)16-10(15-8)13-5-6-17-7-3-1-2-4-7/h7H,1-6H2,(H3,12,13,14,15,16)
InChIKeyCBYAPVNTWPWAFA-UHFFFAOYSA-N
XLogP1.48
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
4-chloro-N-(2-cyclopentyloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63834250
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
6-bromo-2-N-(2-cyclopentyloxyethyl)pyrimidine-2,4-diamine
CID 116795940
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
CID 63869500
6-chloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114516972
5-N-(2-cyclohexyloxyethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278347

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine (CID 80846277) is 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NCCOC2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CBYAPVNTWPWAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c11-8-14-9(12)16-10(15-8)13-5-6-17-7-3-1-2-4-7/h7H,1-6H2,(H3,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 257.72 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80846277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).