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

C10H15FN4 — CID 74764290

IUPAC4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine
SMILESNc1nc(F)cc(NC2CCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyKPYBWAMDQCMSRY-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.94
Rot. Bonds2

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

4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine (PubChem CID 74764290) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine
PubChem CID74764290
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine
SMILESNc1nc(F)cc(NC2CCCCC2)n1
InChIInChI=1S/C10H15FN4/c11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyKPYBWAMDQCMSRY-UHFFFAOYSA-N
XLogP1.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine (CID 74764290) is 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine is Nc1nc(F)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine?
The InChIKey is KPYBWAMDQCMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,12,13,14,15).
What are the key properties of 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine?
4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine has a molecular weight of 210.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 74764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).