4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine

C19H16ClFN2O — CID 2767771

IUPAC4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2
InChIKeyPTROLUMTLQMLQF-UHFFFAOYSA-N
MW342.80 g/mol
LogP5.20
Rot. Bonds6

About 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine

4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine (PubChem CID 2767771) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
PubChem CID2767771
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2
InChIKeyPTROLUMTLQMLQF-UHFFFAOYSA-N
XLogP5.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.80
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 10172601
Pyrimidine, 5-hexyl-2-[4-(pentyloxy)phenyl]-
CID 12238609
Pyrimidine, 2-[4-(heptyloxy)phenyl]-5-hexyl-
CID 12238611
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 1490527
Methyl 2-{4-[4-(4-fluorophenyl)-2-pyrimidinyl]phenoxy}propanoate
CID 2767784
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
(S)-6-Chloro-5-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-2-(pyridin-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 11397947
2-(4-chlorophenyl)-1-(4-methoxybenzyl)-1H-imidazo[1,2-a]pyridin-4-ium bromide
CID 12005558
(16E)-11-chloro-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739511
6-chloro-5-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-2-pyridin-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine;hydrochloride
CID 25211683
2-(3-Chloro-2-fluoro-phenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427168

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine (CID 2767771) is 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine is FCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The InChIKey is PTROLUMTLQMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine has a molecular weight of 342.80 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine is sourced from PubChem (CID 2767771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).