N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine

C26H26N4O2S — CID 71293216

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(C)nc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C26H26N4O2S/c1-17-12-18(2)30-25(29-17)16-27-14-22-15-28-26(33-22)31-21-9-11-24-20(13-21)8-10-23(32-24)19-6-4-3-5-7-19/h3-7,9,11-13,15,23,27H,8,10,14,16H2,1-2H3
InChIKeyDOYZWPCCQUUOTD-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.70
Rot. Bonds7

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine

N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine (PubChem CID 71293216) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
PubChem CID71293216
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine
SMILESCc1cc(C)nc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1
InChIInChI=1S/C26H26N4O2S/c1-17-12-18(2)30-25(29-17)16-27-14-22-15-28-26(33-22)31-21-9-11-24-20(13-21)8-10-23(32-24)19-6-4-3-5-7-19/h3-7,9,11-13,15,23,27H,8,10,14,16H2,1-2H3
InChIKeyDOYZWPCCQUUOTD-UHFFFAOYSA-N
XLogP5.70
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine 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 N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine (CID 71293216) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine is Cc1cc(C)nc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine?
The InChIKey is DOYZWPCCQUUOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-17-12-18(2)30-25(29-17)16-27-14-22-15-28-26(33-22)31-21-9-11-24-20(13-21)8-10-23(32-24)19-6-4-3-5-7-19/h3-7,9,11-13,15,23,27H,8,10,14,16H2,1-2H3.
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine has a molecular weight of 458.59 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]-1-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 71293216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).