N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide

C16H26FN3O — CID 18735982

IUPACN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCCc1nc(N(C(=O)CC(C)(C)C)C(C)CC)ncc1F
InChIInChI=1S/C16H26FN3O/c1-7-11(3)20(14(21)9-16(4,5)6)15-18-10-12(17)13(8-2)19-15/h10-11H,7-9H2,1-6H3
InChIKeyDTZCRSOSMMAGMH-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.75
Rot. Bonds5

About N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide

N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide (PubChem CID 18735982) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
PubChem CID18735982
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC NameN-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide
SMILESCCc1nc(N(C(=O)CC(C)(C)C)C(C)CC)ncc1F
InChIInChI=1S/C16H26FN3O/c1-7-11(3)20(14(21)9-16(4,5)6)15-18-10-12(17)13(8-2)19-15/h10-11H,7-9H2,1-6H3
InChIKeyDTZCRSOSMMAGMH-UHFFFAOYSA-N
XLogP3.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.75
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-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide (CID 18735982) is N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide is CCc1nc(N(C(=O)CC(C)(C)C)C(C)CC)ncc1F.
What is the InChIKey of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is DTZCRSOSMMAGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-7-11(3)20(14(21)9-16(4,5)6)15-18-10-12(17)13(8-2)19-15/h10-11H,7-9H2,1-6H3.
What are the key properties of N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide?
N-butan-2-yl-N-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 295.40 g/mol, XLogP of 3.75, 5 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-(4-ethyl-5-fluoropyrimidin-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 18735982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).