2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine

C15H14ClFN2O — CID 157469600

IUPAC2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(OCc2ccccc2Cl)nc1CC1CC1
InChIInChI=1S/C15H14ClFN2O/c16-12-4-2-1-3-11(12)9-20-15-18-8-13(17)14(19-15)7-10-5-6-10/h1-4,8,10H,5-7,9H2
InChIKeyBUWKELULGMCTOU-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.80
Rot. Bonds5

About 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine

2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine (PubChem CID 157469600) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine
PubChem CID157469600
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine
SMILESFc1cnc(OCc2ccccc2Cl)nc1CC1CC1
InChIInChI=1S/C15H14ClFN2O/c16-12-4-2-1-3-11(12)9-20-15-18-8-13(17)14(19-15)7-10-5-6-10/h1-4,8,10H,5-7,9H2
InChIKeyBUWKELULGMCTOU-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine 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

5-bromo-2-[(2-chlorophenyl)methoxy]pyrimidine
CID 63866925
4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine
CID 158763971
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80858949
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091
2-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]-6-fluorobenzonitrile
CID 67301356
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
(R)-[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethanamine
CID 165351367
N-[[3-[(2-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156390
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79783243
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine (CID 157469600) is 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine is Fc1cnc(OCc2ccccc2Cl)nc1CC1CC1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine?
The InChIKey is BUWKELULGMCTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-12-4-2-1-3-11(12)9-20-15-18-8-13(17)14(19-15)7-10-5-6-10/h1-4,8,10H,5-7,9H2.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine?
2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine has a molecular weight of 292.74 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-4-(cyclopropylmethyl)-5-fluoropyrimidine is sourced from PubChem (CID 157469600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).