4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine

C16H10Cl2FN3 — CID 86045434

IUPAC4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2c(Cl)nc(Nc3ccccc3)nc2Cl)cc1
InChIInChI=1S/C16H10Cl2FN3/c17-14-13(10-6-8-11(19)9-7-10)15(18)22-16(21-14)20-12-4-2-1-3-5-12/h1-9H,(H,20,21,22)
InChIKeyGXZMEIMZCMMJLD-UHFFFAOYSA-N
MW334.18 g/mol
LogP5.33
Rot. Bonds3

About 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine

4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine (PubChem CID 86045434) has the molecular formula C16H10Cl2FN3 and a molecular weight of 334.18 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
PubChem CID86045434
Molecular FormulaC16H10Cl2FN3
Molecular Weight334.18 g/mol
Exact Mass333.02
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine
SMILESFc1ccc(-c2c(Cl)nc(Nc3ccccc3)nc2Cl)cc1
InChIInChI=1S/C16H10Cl2FN3/c17-14-13(10-6-8-11(19)9-7-10)15(18)22-16(21-14)20-12-4-2-1-3-5-12/h1-9H,(H,20,21,22)
InChIKeyGXZMEIMZCMMJLD-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.18
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
4-N-[4-[2-amino-6-(2,4-dichlorophenyl)pyrimidin-4-yl]phenyl]-2-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11714205
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703
4,6-dichloro-5-(4-fluorophenyl)pyrimidine
CID 19735516
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
2-N,6-bis(4-fluorophenyl)-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine;6-(4-fluorophenyl)-2-N-phenyl-4-N-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
CID 143706604

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine (CID 86045434) is 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine is Fc1ccc(-c2c(Cl)nc(Nc3ccccc3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine?
The InChIKey is GXZMEIMZCMMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3/c17-14-13(10-6-8-11(19)9-7-10)15(18)22-16(21-14)20-12-4-2-1-3-5-12/h1-9H,(H,20,21,22).
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine?
4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine has a molecular weight of 334.18 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 86045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).