5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine

C18H16FN3 — CID 66764541

IUPAC5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccccc2)nc1CCc1ccccc1
InChIInChI=1S/C18H16FN3/c19-16-13-20-18(21-15-9-5-2-6-10-15)22-17(16)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyDORNNIFSFXNWKJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.14
Rot. Bonds5

About 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine

5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 66764541) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
PubChem CID66764541
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
SMILESFc1cnc(Nc2ccccc2)nc1CCc1ccccc1
InChIInChI=1S/C18H16FN3/c19-16-13-20-18(21-15-9-5-2-6-10-15)22-17(16)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyDORNNIFSFXNWKJ-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine 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-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
5-fluoro-N-phenyl-4-piperidin-4-ylpyrimidin-2-amine
CID 162748564
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
CID 18186489
5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 83712714
6-fluoro-2-N-phenylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 141037386
5-fluoro-2-N,4-N-bis(3-phenylphenyl)pyrimidine-2,4-diamine
CID 66759549
2-anilino-8-[[2-(2-phenylethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374839
5-fluoro-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 71014823
(2-anilinopyrimidin-5-yl)methanol;methane
CID 161338476
N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine
CID 631732
N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]methyl]phenyl]prop-2-enamide
CID 126501952
CID 172854912
CID 172854912

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine (CID 66764541) is 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine is Fc1cnc(Nc2ccccc2)nc1CCc1ccccc1.
What is the InChIKey of 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is DORNNIFSFXNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c19-16-13-20-18(21-15-9-5-2-6-10-15)22-17(16)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,20,21,22).
What are the key properties of 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine?
5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 293.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 66764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).