5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine

C18H13FN4 — CID 101432469

IUPAC5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H13FN4/c19-12-7-5-11(6-8-12)14-9-22-18(20)23-17(14)15-10-21-16-4-2-1-3-13(15)16/h1-10,21H,(H2,20,22,23)
InChIKeyOHRDSWFMBHKBCF-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.01
Rot. Bonds2

About 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine

5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 101432469) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
PubChem CID101432469
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H13FN4/c19-12-7-5-11(6-8-12)14-9-22-18(20)23-17(14)15-10-21-16-4-2-1-3-13(15)16/h1-10,21H,(H2,20,22,23)
InChIKeyOHRDSWFMBHKBCF-UHFFFAOYSA-N
XLogP4.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-fluorophenyl)-4-(1H-indol-3-yl)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

4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 67983119
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)pyrimidin-2-amine
CID 67983118
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine;cyclohexane;4-[[fluoro(methyl)amino]methyl]aniline
CID 145063522
5-phenyl-4-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 90945303
2-[2-amino-5-(4-aminophenyl)pyrimidin-4-yl]phenol
CID 135960803
2-[2-amino-5-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 135960806
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
methane;3-phenyl-1H-indole
CID 167711687
2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
CID 175863340

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine (CID 101432469) is 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine is Nc1ncc(-c2ccc(F)cc2)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is OHRDSWFMBHKBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-12-7-5-11(6-8-12)14-9-22-18(20)23-17(14)15-10-21-16-4-2-1-3-13(15)16/h1-10,21H,(H2,20,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine?
5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 304.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 101432469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).