N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide

C19H32FN3O — CID 71107409

IUPACN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H32FN3O/c1-5-9-12-15(13-10-6-2)23(18(24)11-7-3)19-21-14-16(20)17(8-4)22-19/h14-15H,5-13H2,1-4H3
InChIKeyANFGWNOFJDPTJS-UHFFFAOYSA-N
MW337.48 g/mol
LogP5.06
Rot. Bonds11

About N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide

N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide (PubChem CID 71107409) has the molecular formula C19H32FN3O and a molecular weight of 337.48 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide
PubChem CID71107409
Molecular FormulaC19H32FN3O
Molecular Weight337.48 g/mol
Exact Mass337.25
IUPAC NameN-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(C(=O)CCC)c1ncc(F)c(CC)n1
InChIInChI=1S/C19H32FN3O/c1-5-9-12-15(13-10-6-2)23(18(24)11-7-3)19-21-14-16(20)17(8-4)22-19/h14-15H,5-13H2,1-4H3
InChIKeyANFGWNOFJDPTJS-UHFFFAOYSA-N
XLogP5.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide?
The IUPAC name of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide (CID 71107409) is N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide?
The canonical SMILES for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(C(=O)CCC)c1ncc(F)c(CC)n1.
What is the InChIKey of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide?
The InChIKey is ANFGWNOFJDPTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O/c1-5-9-12-15(13-10-6-2)23(18(24)11-7-3)19-21-14-16(20)17(8-4)22-19/h14-15H,5-13H2,1-4H3.
What are the key properties of N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide?
N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide has a molecular weight of 337.48 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-fluoropyrimidin-2-yl)-N-nonan-5-ylbutanamide is sourced from PubChem (CID 71107409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).