N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine

C14H24FN3 — CID 71106938

IUPACN-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine
SMILESCCCCN(c1ncc(F)c(CC)n1)C(C)CC
InChIInChI=1S/C14H24FN3/c1-5-8-9-18(11(4)6-2)14-16-10-12(15)13(7-3)17-14/h10-11H,5-9H2,1-4H3
InChIKeyZHHJAHVEMPJKQF-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.58
Rot. Bonds7

About N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine

N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine (PubChem CID 71106938) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine
PubChem CID71106938
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine
SMILESCCCCN(c1ncc(F)c(CC)n1)C(C)CC
InChIInChI=1S/C14H24FN3/c1-5-8-9-18(11(4)6-2)14-16-10-12(15)13(7-3)17-14/h10-11H,5-9H2,1-4H3
InChIKeyZHHJAHVEMPJKQF-UHFFFAOYSA-N
XLogP3.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine (CID 71106938) is N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine is CCCCN(c1ncc(F)c(CC)n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine?
The InChIKey is ZHHJAHVEMPJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-5-8-9-18(11(4)6-2)14-16-10-12(15)13(7-3)17-14/h10-11H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine?
N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-ethyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 71106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).