4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 114137248

IUPAC4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCCC2CCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-18-12-16-10(13)15-11(17-12)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyADXHGNHZKODAPG-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.92
Rot. Bonds6

About 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine

4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114137248) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114137248
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCCC2CCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-18-12-16-10(13)15-11(17-12)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyADXHGNHZKODAPG-UHFFFAOYSA-N
XLogP2.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.92
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

6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974
4-chloro-6-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,5-triazin-2-amine
CID 62857307
4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62858982
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
CID 63869500
4-chloro-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]-1,3,5-triazin-2-amine
CID 62858154
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
2-N-(3-azidopropyl)-6-chloro-4-N-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4-diamine
CID 169095100
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
4-chloro-N-(3-ethylcyclohexyl)-6-methoxy-1,3,5-triazin-2-amine
CID 64743928
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine (CID 114137248) is 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCCC2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ADXHGNHZKODAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-18-12-16-10(13)15-11(17-12)14-8-4-7-9-5-2-3-6-9/h9H,2-8H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114137248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).