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

C8H14ClN5O — CID 80772319

IUPAC6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O/c1-2-15-5-3-4-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyCIAPUFROZLQVLK-UHFFFAOYSA-N
MW231.69 g/mol
LogP0.95
Rot. Bonds6

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

6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80772319) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80772319
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O/c1-2-15-5-3-4-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyCIAPUFROZLQVLK-UHFFFAOYSA-N
XLogP0.95
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 50.95
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-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248647
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-chloro-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461125
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine (CID 80772319) is 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine is CCOCCCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CIAPUFROZLQVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O/c1-2-15-5-3-4-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 231.69 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).