6-cyclohexyl-5-fluoropyrimidine-2,4-diamine

C10H15FN4 — CID 67519753

IUPAC6-cyclohexyl-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(C2CCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h6H,1-5H2,(H4,12,13,14,15)
InChIKeyGTCWGXQKXNTWBJ-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.83
Rot. Bonds1

About 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine

6-cyclohexyl-5-fluoropyrimidine-2,4-diamine (PubChem CID 67519753) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-5-fluoropyrimidine-2,4-diamine
PubChem CID67519753
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name6-cyclohexyl-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N)c(F)c(C2CCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h6H,1-5H2,(H4,12,13,14,15)
InChIKeyGTCWGXQKXNTWBJ-UHFFFAOYSA-N
XLogP1.83
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine (CID 67519753) is 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine is Nc1nc(N)c(F)c(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine?
The InChIKey is GTCWGXQKXNTWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c11-7-8(6-4-2-1-3-5-6)14-10(13)15-9(7)12/h6H,1-5H2,(H4,12,13,14,15).
What are the key properties of 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine?
6-cyclohexyl-5-fluoropyrimidine-2,4-diamine has a molecular weight of 210.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 67519753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).