2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde

C14H12ClFN2O — CID 141264247

IUPAC2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyLNXMAARGCHJOJK-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.87
Rot. Bonds3

About 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde

2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 141264247) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID141264247
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyLNXMAARGCHJOJK-UHFFFAOYSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(4-fluorophenyl)-2-(methylamino)-6-propan-2-ylpyrimidine-5-carbaldehyde
CID 143766010
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
5-ethyl-4-(4-fluorophenyl)-6-phenyl-2-propan-2-ylpyridine-3-carbaldehyde
CID 21471309
N'-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N'-methylmethanedisulfonamide
CID 143348054
3-[4-(4-fluorophenyl)-2-(4-methylphenyl)-6-propan-2-ylpyrimidin-5-yl]prop-2-enal
CID 54526258
(E)-3-[4-(4-fluorophenyl)-5-[(E)-3-oxoprop-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]prop-2-enal
CID 15924228
1-[4-(4-fluorophenyl)-5-(3-oxoprop-1-enyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 123707101
4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
CID 23352465
N-[5-[2-(1,3-dioxolan-2-yl)-1-hydroxyethyl]-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide;N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
CID 157305110
2-(4-fluorophenyl)-6-propan-2-ylbenzaldehyde
CID 19004465
4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 89099570
4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-5,6-dihydropyrido[3,2-d][2]benzazepine-3-carbaldehyde
CID 58992951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (CID 141264247) is 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is LNXMAARGCHJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 278.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 141264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).