4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C16H18FN5O2 — CID 139022999

IUPAC4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCCc1ncnc(N2CCN(c3ccnc(OC)c3)C(=O)C2)c1F
InChIInChI=1S/C16H18FN5O2/c1-3-12-15(17)16(20-10-19-12)21-6-7-22(14(23)9-21)11-4-5-18-13(8-11)24-2/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeySUHMMRCBRHBJBB-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.43
Rot. Bonds4

About 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 139022999) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID139022999
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCCc1ncnc(N2CCN(c3ccnc(OC)c3)C(=O)C2)c1F
InChIInChI=1S/C16H18FN5O2/c1-3-12-15(17)16(20-10-19-12)21-6-7-22(14(23)9-21)11-4-5-18-13(8-11)24-2/h4-5,8,10H,3,6-7,9H2,1-2H3
InChIKeySUHMMRCBRHBJBB-UHFFFAOYSA-N
XLogP1.43
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 139022999) is 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is CCc1ncnc(N2CCN(c3ccnc(OC)c3)C(=O)C2)c1F.
What is the InChIKey of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is SUHMMRCBRHBJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-3-12-15(17)16(20-10-19-12)21-6-7-22(14(23)9-21)11-4-5-18-13(8-11)24-2/h4-5,8,10H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 331.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-fluoropyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 139022999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).