4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine

C19H23FN4 — CID 163344168

IUPAC4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nc(C2CC2)cc(N2CCN(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4/c1-14-21-18(15-6-7-15)12-19(22-14)24-10-8-23(9-11-24)13-16-4-2-3-5-17(16)20/h2-5,12,15H,6-11,13H2,1H3
InChIKeyNRYCUMXAXSCCMD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.12
Rot. Bonds4

About 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine

4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine (PubChem CID 163344168) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
PubChem CID163344168
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
SMILESCc1nc(C2CC2)cc(N2CCN(Cc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4/c1-14-21-18(15-6-7-15)12-19(22-14)24-10-8-23(9-11-24)13-16-4-2-3-5-17(16)20/h2-5,12,15H,6-11,13H2,1H3
InChIKeyNRYCUMXAXSCCMD-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 163350223
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-6-piperidin-1-yl-2-pyrazin-2-ylpyrimidine
CID 110089375
4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 166601340
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 163350112
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19499621
8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
CID 86868224
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine (CID 163344168) is 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine is Cc1nc(C2CC2)cc(N2CCN(Cc3ccccc3F)CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is NRYCUMXAXSCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4/c1-14-21-18(15-6-7-15)12-19(22-14)24-10-8-23(9-11-24)13-16-4-2-3-5-17(16)20/h2-5,12,15H,6-11,13H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine?
4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine has a molecular weight of 326.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 163344168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).