4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

C24H22FN5S — CID 59333750

IUPAC4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(Cc4ccc(F)cc4)n2)CSCC3)cc1
InChIInChI=1S/C24H22FN5S/c1-16-26-11-12-30(16)20-8-6-19(7-9-20)27-24-28-22-10-13-31-15-21(22)23(29-24)14-17-2-4-18(25)5-3-17/h2-9,11-12H,10,13-15H2,1H3,(H,27,28,29)
InChIKeyJIGFILPRAJDNAC-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.23
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 59333750) has the molecular formula C24H22FN5S and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID59333750
Molecular FormulaC24H22FN5S
Molecular Weight431.54 g/mol
Exact Mass431.16
IUPAC Name4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3c(c(Cc4ccc(F)cc4)n2)CSCC3)cc1
InChIInChI=1S/C24H22FN5S/c1-16-26-11-12-30(16)20-8-6-19(7-9-20)27-24-28-22-10-13-31-15-21(22)23(29-24)14-17-2-4-18(25)5-3-17/h2-9,11-12H,10,13-15H2,1H3,(H,27,28,29)
InChIKeyJIGFILPRAJDNAC-UHFFFAOYSA-N
XLogP5.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 59333750) is 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is Cc1nccn1-c1ccc(Nc2nc3c(c(Cc4ccc(F)cc4)n2)CSCC3)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is JIGFILPRAJDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5S/c1-16-26-11-12-30(16)20-8-6-19(7-9-20)27-24-28-22-10-13-31-15-21(22)23(29-24)14-17-2-4-18(25)5-3-17/h2-9,11-12H,10,13-15H2,1H3,(H,27,28,29).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 59333750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).