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

C16H19ClFN5 — CID 15544883

IUPAC2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C16H19ClFN5/c1-16(2,18)13-21-14(19)23-15(22-13)20-12(9-3-4-9)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyJSHKCOGXFDPDBX-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.88
Rot. Bonds5

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

2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 15544883) has the molecular formula C16H19ClFN5 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID15544883
Molecular FormulaC16H19ClFN5
Molecular Weight335.81 g/mol
Exact Mass335.13
IUPAC Name2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C16H19ClFN5/c1-16(2,18)13-21-14(19)23-15(22-13)20-12(9-3-4-9)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyJSHKCOGXFDPDBX-UHFFFAOYSA-N
XLogP3.88
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.88
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-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 15544883) is 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC(c2ccc(Cl)cc2)C2CC2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JSHKCOGXFDPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5/c1-16(2,18)13-21-14(19)23-15(22-13)20-12(9-3-4-9)10-5-7-11(17)8-6-10/h5-9,12H,3-4H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 335.81 g/mol, XLogP of 3.88, 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-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15544883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).