5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine

C25H19FN4S — CID 129033125

IUPAC5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)s2)ccn1
InChIInChI=1S/C25H19FN4S/c1-16-12-19(10-11-27-16)22-9-8-21(31-22)14-28-25-23(26)24(29-15-30-25)20-7-6-17-4-2-3-5-18(17)13-20/h2-13,15H,14H2,1H3,(H,28,29,30)
InChIKeyHCNREDKDPVLVFF-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.48
Rot. Bonds5

About 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine

5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine (PubChem CID 129033125) has the molecular formula C25H19FN4S and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
PubChem CID129033125
Molecular FormulaC25H19FN4S
Molecular Weight426.52 g/mol
Exact Mass426.13
IUPAC Name5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)s2)ccn1
InChIInChI=1S/C25H19FN4S/c1-16-12-19(10-11-27-16)22-9-8-21(31-22)14-28-25-23(26)24(29-15-30-25)20-7-6-17-4-2-3-5-18(17)13-20/h2-13,15H,14H2,1H3,(H,28,29,30)
InChIKeyHCNREDKDPVLVFF-UHFFFAOYSA-N
XLogP6.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine (CID 129033125) is 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine is Cc1cc(-c2ccc(CNc3ncnc(-c4ccc5ccccc5c4)c3F)s2)ccn1.
What is the InChIKey of 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The InChIKey is HCNREDKDPVLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4S/c1-16-12-19(10-11-27-16)22-9-8-21(31-22)14-28-25-23(26)24(29-15-30-25)20-7-6-17-4-2-3-5-18(17)13-20/h2-13,15H,14H2,1H3,(H,28,29,30).
What are the key properties of 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine has a molecular weight of 426.52 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[5-(2-methyl-4-pyridinyl)thiophen-2-yl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 129033125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).