2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C12H20FN5 — CID 141284778

IUPAC2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(c1nc(N)nc(F)n1)C1CCCCC1
InChIInChI=1S/C12H20FN5/c1-8(2)18(9-6-4-3-5-7-9)12-16-10(13)15-11(14)17-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyFIMKUQKWMWRMTL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds3

About 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 141284778) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID141284778
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(c1nc(N)nc(F)n1)C1CCCCC1
InChIInChI=1S/C12H20FN5/c1-8(2)18(9-6-4-3-5-7-9)12-16-10(13)15-11(14)17-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyFIMKUQKWMWRMTL-UHFFFAOYSA-N
XLogP2.14
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 141284778) is 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(C)N(c1nc(N)nc(F)n1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is FIMKUQKWMWRMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-8(2)18(9-6-4-3-5-7-9)12-16-10(13)15-11(14)17-12/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 253.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-fluoro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141284778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).