5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

C19H25FN4 — CID 56900861

IUPAC5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(CN2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H25FN4/c1-15(2)19-21-11-17(12-22-19)14-24-8-6-23(7-9-24)13-16-4-3-5-18(20)10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3
InChIKeyMYSQVVJCPNLASK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.06
Rot. Bonds5

About 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine

5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (PubChem CID 56900861) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
PubChem CID56900861
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(CN2CCN(Cc3cccc(F)c3)CC2)cn1
InChIInChI=1S/C19H25FN4/c1-15(2)19-21-11-17(12-22-19)14-24-8-6-23(7-9-24)13-16-4-3-5-18(20)10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3
InChIKeyMYSQVVJCPNLASK-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine (CID 56900861) is 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is CC(C)c1ncc(CN2CCN(Cc3cccc(F)c3)CC2)cn1.
What is the InChIKey of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
The InChIKey is MYSQVVJCPNLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-15(2)19-21-11-17(12-22-19)14-24-8-6-23(7-9-24)13-16-4-3-5-18(20)10-16/h3-5,10-12,15H,6-9,13-14H2,1-2H3.
What are the key properties of 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine?
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine has a molecular weight of 328.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56900861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).