N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide

C15H24FN5O — CID 133418675

IUPACN-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C15H24FN5O/c1-3-12-14(16)15(19-11-18-12)21-7-5-6-20(8-9-21)10-13(22)17-4-2/h11H,3-10H2,1-2H3,(H,17,22)
InChIKeyZZPDUCXYEYVLRA-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.83
Rot. Bonds5

About N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide

N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 133418675) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID133418675
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC NameN-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide
SMILESCCNC(=O)CN1CCCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C15H24FN5O/c1-3-12-14(16)15(19-11-18-12)21-7-5-6-20(8-9-21)10-13(22)17-4-2/h11H,3-10H2,1-2H3,(H,17,22)
InChIKeyZZPDUCXYEYVLRA-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide (CID 133418675) is N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide is CCNC(=O)CN1CCCN(c2ncnc(CC)c2F)CC1.
What is the InChIKey of N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is ZZPDUCXYEYVLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-3-12-14(16)15(19-11-18-12)21-7-5-6-20(8-9-21)10-13(22)17-4-2/h11H,3-10H2,1-2H3,(H,17,22).
What are the key properties of N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide?
N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 133418675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).