5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride

C34H37ClN8O3 — CID 160923711

IUPAC5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1noc(C2CN=CN(C(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)C2)n1.[2H]C([2H])([2H])c1noc(C2CN=CNC2)n1
InChIInChI=1S/C27H26N4O2.C7H10N4O.ClH/c1-20-29-26(33-30-20)21-17-28-19-31(18-21)27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-15-25(32-2)16-14-24;1-5-10-7(12-11-5)6-2-8-4-9-3-6;/h3-16,19,21H,17-18H2,1-2H3;4,6H,2-3H2,1H3,(H,8,9);1H/i2*1D3;
InChIKeyYQJLMLYXRHLOIJ-CKFJQVKPSA-N
MW647.21 g/mol
LogP5.32
Rot. Bonds9

About 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride

5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 160923711) has the molecular formula C34H37ClN8O3 and a molecular weight of 647.21 g/mol. Its IUPAC name is 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID160923711
Molecular FormulaC34H37ClN8O3
Molecular Weight647.21 g/mol
Exact Mass646.31
IUPAC Name5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.[2H]C([2H])([2H])c1noc(C2CN=CN(C(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)C2)n1.[2H]C([2H])([2H])c1noc(C2CN=CNC2)n1
InChIInChI=1S/C27H26N4O2.C7H10N4O.ClH/c1-20-29-26(33-30-20)21-17-28-19-31(18-21)27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-15-25(32-2)16-14-24;1-5-10-7(12-11-5)6-2-8-4-9-3-6;/h3-16,19,21H,17-18H2,1-2H3;4,6H,2-3H2,1H3,(H,8,9);1H/i2*1D3;
InChIKeyYQJLMLYXRHLOIJ-CKFJQVKPSA-N
XLogP5.32
TPSA127.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500647.21
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride 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-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride (CID 160923711) is 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride is Cl.[2H]C([2H])([2H])c1noc(C2CN=CN(C(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)C2)n1.[2H]C([2H])([2H])c1noc(C2CN=CNC2)n1.
What is the InChIKey of 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YQJLMLYXRHLOIJ-CKFJQVKPSA-N. The full InChI is InChI=1S/C27H26N4O2.C7H10N4O.ClH/c1-20-29-26(33-30-20)21-17-28-19-31(18-21)27(22-9-5-3-6-10-22,23-11-7-4-8-12-23)24-13-15-25(32-2)16-14-24;1-5-10-7(12-11-5)6-2-8-4-9-3-6;/h3-16,19,21H,17-18H2,1-2H3;4,6H,2-3H2,1H3,(H,8,9);1H/i2*1D3;.
What are the key properties of 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride?
5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 647.21 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 160923711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).