2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

C15H17ClFN5 — CID 15544882

IUPAC2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C15H17ClFN5/c1-8(17)13-20-14(18)22-15(21-13)19-12(9-2-3-9)10-4-6-11(16)7-5-10/h4-9,12H,2-3H2,1H3,(H3,18,19,20,21,22)
InChIKeyVWJMOXSAINXDAL-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.70
Rot. Bonds5

About 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15544882) has the molecular formula C15H17ClFN5 and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15544882
Molecular FormulaC15H17ClFN5
Molecular Weight321.79 g/mol
Exact Mass321.12
IUPAC Name2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C15H17ClFN5/c1-8(17)13-20-14(18)22-15(21-13)19-12(9-2-3-9)10-4-6-11(16)7-5-10/h4-9,12H,2-3H2,1H3,(H3,18,19,20,21,22)
InChIKeyVWJMOXSAINXDAL-UHFFFAOYSA-N
XLogP3.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 15544882) is 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is CC(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VWJMOXSAINXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5/c1-8(17)13-20-14(18)22-15(21-13)19-12(9-2-3-9)10-4-6-11(16)7-5-10/h4-9,12H,2-3H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 321.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15544882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).