5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

C19H17ClFN3 — CID 171989077

IUPAC5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1nc(NCCc2ccc(F)cc2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3/c1-13-18(15-4-6-16(20)7-5-15)12-23-19(24-13)22-11-10-14-2-8-17(21)9-3-14/h2-9,12H,10-11H2,1H3,(H,22,23,24)
InChIKeySDVILSHDABDXES-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.90
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine

5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (PubChem CID 171989077) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
PubChem CID171989077
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
SMILESCc1nc(NCCc2ccc(F)cc2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClFN3/c1-13-18(15-4-6-16(20)7-5-15)12-23-19(24-13)22-11-10-14-2-8-17(21)9-3-14/h2-9,12H,10-11H2,1H3,(H,22,23,24)
InChIKeySDVILSHDABDXES-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 46951024
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-N-[2-(4-chlorophenyl)ethyl]-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80794050
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
N-[2-(4-fluorophenyl)ethyl]-7-methylpurin-2-amine
CID 162630034
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
4-N-tert-butyl-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112897132

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine (CID 171989077) is 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is Cc1nc(NCCc2ccc(F)cc2)ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
The InChIKey is SDVILSHDABDXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-13-18(15-4-6-16(20)7-5-15)12-23-19(24-13)22-11-10-14-2-8-17(21)9-3-14/h2-9,12H,10-11H2,1H3,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine?
5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine has a molecular weight of 341.82 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 171989077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).