2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine

C14H22FN3O — CID 151901268

IUPAC2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESCCCCOc1ncc(F)c(NC2CCCCC2)n1
InChIInChI=1S/C14H22FN3O/c1-2-3-9-19-14-16-10-12(15)13(18-14)17-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeySSUXKRLJYKDPHA-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.54
Rot. Bonds6

About 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine

2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine (PubChem CID 151901268) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
PubChem CID151901268
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
SMILESCCCCOc1ncc(F)c(NC2CCCCC2)n1
InChIInChI=1S/C14H22FN3O/c1-2-3-9-19-14-16-10-12(15)13(18-14)17-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeySSUXKRLJYKDPHA-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine (CID 151901268) is 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine is CCCCOc1ncc(F)c(NC2CCCCC2)n1.
What is the InChIKey of 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine?
The InChIKey is SSUXKRLJYKDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-2-3-9-19-14-16-10-12(15)13(18-14)17-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine?
2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine has a molecular weight of 267.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 151901268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).