(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone

C22H25FN4O2 — CID 122574035

IUPAC(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C22H25FN4O2/c1-13(2)18-19-16(25-20(26-18)14-5-7-15(23)8-6-14)11-17(29-19)21(28)27-10-9-24-12-22(27,3)4/h5-8,11,13,24H,9-10,12H2,1-4H3
InChIKeyKNUJMDHOFAIOSU-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.98
Rot. Bonds3

About (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone

(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone (PubChem CID 122574035) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone
PubChem CID122574035
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone
SMILESCC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12
InChIInChI=1S/C22H25FN4O2/c1-13(2)18-19-16(25-20(26-18)14-5-7-15(23)8-6-14)11-17(29-19)21(28)27-10-9-24-12-22(27,3)4/h5-8,11,13,24H,9-10,12H2,1-4H3
InChIKeyKNUJMDHOFAIOSU-UHFFFAOYSA-N
XLogP3.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone (CID 122574035) is (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone is CC(C)c1nc(-c2ccc(F)cc2)nc2cc(C(=O)N3CCNCC3(C)C)oc12.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone?
The InChIKey is KNUJMDHOFAIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13(2)18-19-16(25-20(26-18)14-5-7-15(23)8-6-14)11-17(29-19)21(28)27-10-9-24-12-22(27,3)4/h5-8,11,13,24H,9-10,12H2,1-4H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone?
(2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-propan-2-ylfuro[3,2-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 122574035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).