1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

C17H20FN5O4 — CID 121017682

IUPAC1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCc1ncnc(OC2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)c1F
InChIInChI=1S/C17H20FN5O4/c1-2-12-15(18)16(20-10-19-12)27-11-3-6-23(9-11)14(25)5-8-22-7-4-13(24)21-17(22)26/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,21,24,26)
InChIKeyMWNBYLANTHDDGC-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.10
Rot. Bonds6

About 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 121017682) has the molecular formula C17H20FN5O4 and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID121017682
Molecular FormulaC17H20FN5O4
Molecular Weight377.38 g/mol
Exact Mass377.15
IUPAC Name1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
SMILESCCc1ncnc(OC2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)c1F
InChIInChI=1S/C17H20FN5O4/c1-2-12-15(18)16(20-10-19-12)27-11-3-6-23(9-11)14(25)5-8-22-7-4-13(24)21-17(22)26/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,21,24,26)
InChIKeyMWNBYLANTHDDGC-UHFFFAOYSA-N
XLogP0.10
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione (CID 121017682) is 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is CCc1ncnc(OC2CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)c1F.
What is the InChIKey of 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is MWNBYLANTHDDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O4/c1-2-12-15(18)16(20-10-19-12)27-11-3-6-23(9-11)14(25)5-8-22-7-4-13(24)21-17(22)26/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,21,24,26).
What are the key properties of 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 377.38 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 121017682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).