2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine

C20H24FN3 — CID 99950270

IUPAC2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine
SMILESFc1ccc([C@@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H24FN3/c21-18-8-6-16(7-9-18)19-10-11-24(19)14-15-12-22-20(23-13-15)17-4-2-1-3-5-17/h6-9,12-13,17,19H,1-5,10-11,14H2/t19-/m0/s1
InChIKeyJTKKEJFZZGYFCN-IBGZPJMESA-N
MW325.43 g/mol
LogP4.61
Rot. Bonds4

About 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine

2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine (PubChem CID 99950270) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine
PubChem CID99950270
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine
SMILESFc1ccc([C@@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H24FN3/c21-18-8-6-16(7-9-18)19-10-11-24(19)14-15-12-22-20(23-13-15)17-4-2-1-3-5-17/h6-9,12-13,17,19H,1-5,10-11,14H2/t19-/m0/s1
InChIKeyJTKKEJFZZGYFCN-IBGZPJMESA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
CID 99936278
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
[(2S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]azepan-2-yl]methanol
CID 99929248
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
(4aR,7aS)-4-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-ethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70726125
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
2-cyclohexyl-5-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 99960847
5-butyl-2-cyclohexylpyrimidine
CID 154503798
4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 56705612

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine (CID 99950270) is 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine is Fc1ccc([C@@H]2CCN2Cc2cnc(C3CCCCC3)nc2)cc1.
What is the InChIKey of 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine?
The InChIKey is JTKKEJFZZGYFCN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24FN3/c21-18-8-6-16(7-9-18)19-10-11-24(19)14-15-12-22-20(23-13-15)17-4-2-1-3-5-17/h6-9,12-13,17,19H,1-5,10-11,14H2/t19-/m0/s1.
What are the key properties of 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine?
2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine has a molecular weight of 325.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 99950270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).