6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine

C9H14ClN5 — CID 130568334

IUPAC6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCCl)nc(NC2CCC2)n1
InChIInChI=1S/C9H14ClN5/c10-5-4-7-13-8(11)15-9(14-7)12-6-2-1-3-6/h6H,1-5H2,(H3,11,12,13,14,15)
InChIKeyMZNHCGCARWHRRP-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.20
Rot. Bonds4

About 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine

6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine (PubChem CID 130568334) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
PubChem CID130568334
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCCl)nc(NC2CCC2)n1
InChIInChI=1S/C9H14ClN5/c10-5-4-7-13-8(11)15-9(14-7)12-6-2-1-3-6/h6H,1-5H2,(H3,11,12,13,14,15)
InChIKeyMZNHCGCARWHRRP-UHFFFAOYSA-N
XLogP1.20
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
2-N-cyclohexyl-6-ethyl-1,3,5-triazine-2,4-diamine
CID 91621401
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-(2-chloroethyl)-2-N-(1-methylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 130568349
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
2-N-(2-methylcyclopentyl)-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112746224
2-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 22929223
2-N-(4,4-dimethylcyclohexyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80837854
6-(3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-ylsulfanylmethyl)-2-N-(4-fluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 67988365

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine (CID 130568334) is 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine is Nc1nc(CCCl)nc(NC2CCC2)n1.
What is the InChIKey of 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MZNHCGCARWHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c10-5-4-7-13-8(11)15-9(14-7)12-6-2-1-3-6/h6H,1-5H2,(H3,11,12,13,14,15).
What are the key properties of 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine?
6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130568334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).