4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one

C22H23FN4O3 — CID 122573862

IUPAC4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C22H23FN4O3/c1-12(2)17-18-15(25-19(26-17)13-5-7-14(23)8-6-13)11-16(30-18)20(28)27-10-9-24-21(29)22(27,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,24,29)
InChIKeyUNXNWBYQILRRPV-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.50
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one

4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 122573862) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID122573862
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12
InChIInChI=1S/C22H23FN4O3/c1-12(2)17-18-15(25-19(26-17)13-5-7-14(23)8-6-13)11-16(30-18)20(28)27-10-9-24-21(29)22(27,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,24,29)
InChIKeyUNXNWBYQILRRPV-UHFFFAOYSA-N
XLogP3.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one (CID 122573862) is 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one is CC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNC(=O)C3(C)C)oc12.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is UNXNWBYQILRRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-12(2)17-18-15(25-19(26-17)13-5-7-14(23)8-6-13)11-16(30-18)20(28)27-10-9-24-21(29)22(27,3)4/h5-8,11-12H,9-10H2,1-4H3,(H,24,29).
What are the key properties of 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 410.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidine-6-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 122573862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).