4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine

C17H19FN4 — CID 117211492

IUPAC4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
SMILESFc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1
InChIInChI=1S/C17H19FN4/c18-14-4-2-1-3-13(14)17-20-11-15(16(21-17)12-5-6-12)22-9-7-19-8-10-22/h1-4,11-12,19H,5-10H2
InChIKeyGFMHSDKYXZHUHR-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.57
Rot. Bonds3

About 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine

4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117211492) has the molecular formula C17H19FN4 and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117211492
Molecular FormulaC17H19FN4
Molecular Weight298.36 g/mol
Exact Mass298.16
IUPAC Name4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
SMILESFc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1
InChIInChI=1S/C17H19FN4/c18-14-4-2-1-3-13(14)17-20-11-15(16(21-17)12-5-6-12)22-9-7-19-8-10-22/h1-4,11-12,19H,5-10H2
InChIKeyGFMHSDKYXZHUHR-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
2-[5-(4-aminopiperidin-1-yl)-4-cyclopropylpyrimidin-2-yl]phenol
CID 136934519
4-cyclopentyl-2-cyclopropyl-5-piperazin-1-ylpyrimidine
CID 117211621
1-[2-(2-fluorophenyl)-4-propan-2-ylpyrimidin-5-yl]piperidin-4-amine
CID 117212035
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
4-cyclohexyl-2-ethyl-5-piperazin-1-ylpyrimidine
CID 117211662
5-(2-fluorophenyl)-N,N-dimethyl-4-piperidin-4-ylpyrimidin-2-amine
CID 110094374
1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
CID 117210842
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
1-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1,4-diazepane
CID 103279650
4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
CID 82169218
1-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]piperazine;dihydrochloride
CID 155821881

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine (CID 117211492) is 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine is Fc1ccccc1-c1ncc(N2CCNCC2)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is GFMHSDKYXZHUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c18-14-4-2-1-3-13(14)17-20-11-15(16(21-17)12-5-6-12)22-9-7-19-8-10-22/h1-4,11-12,19H,5-10H2.
What are the key properties of 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine?
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 298.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).