methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate

C24H25N3O4 — CID 67742281

IUPACmethyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1c(Oc2cccc(-c3ccccc3)c2)nc(C)nc1N(C)C
InChIInChI=1S/C24H25N3O4/c1-16-25-22(27(2)3)21(20(15-29-4)24(28)30-5)23(26-16)31-19-13-9-12-18(14-19)17-10-7-6-8-11-17/h6-15H,1-5H3/b20-15-
InChIKeyWACOUAHBNABILL-HKWRFOASSA-N
MW419.48 g/mol
LogP4.47
Rot. Bonds7

About methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate

methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate (PubChem CID 67742281) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate
PubChem CID67742281
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Namemethyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1c(Oc2cccc(-c3ccccc3)c2)nc(C)nc1N(C)C
InChIInChI=1S/C24H25N3O4/c1-16-25-22(27(2)3)21(20(15-29-4)24(28)30-5)23(26-16)31-19-13-9-12-18(14-19)17-10-7-6-8-11-17/h6-15H,1-5H3/b20-15-
InChIKeyWACOUAHBNABILL-HKWRFOASSA-N
XLogP4.47
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate 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

methyl (E)-2-[4-[3-(3-cyanophenyl)phenoxy]-2-methyl-6-methylsulfanylpyrimidin-5-yl]-3-methoxyprop-2-enoate
CID 70107840
methyl (E)-3-methoxy-2-[4-(3-methoxyphenoxy)-2-methyl-6-methylsulfanylpyrimidin-5-yl]prop-2-enoate
CID 70104033
methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
CID 67742279
methyl 2-[4-[3-[N-[(2,5-dimethylphenyl)methoxy]-C-methylcarbonimidoyl]phenoxy]-6-methoxy-2-methylpyrimidin-5-yl]-3-methoxyprop-2-enoate
CID 54401372
methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-methyl-5-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
CID 67742301
methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
CID 15125736
methyl 2-[4-[3-(2-cyanophenoxy)phenoxy]-2-methyl-6-methylsulfanylpyrimidin-5-yl]but-2-enoate
CID 70106545
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261
2-[4-(3-methoxyphenoxy)-2-methyl-6-methylsulfanylpyrimidin-5-yl]but-2-enoic acid
CID 70121164
methyl 2-[4-methoxy-6-(3-phenoxyphenoxy)pyrimidin-5-yl]but-2-enoate
CID 57002182
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate (CID 67742281) is methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate is CO/C=C(\C(=O)OC)c1c(Oc2cccc(-c3ccccc3)c2)nc(C)nc1N(C)C.
What is the InChIKey of methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate?
The InChIKey is WACOUAHBNABILL-HKWRFOASSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-25-22(27(2)3)21(20(15-29-4)24(28)30-5)23(26-16)31-19-13-9-12-18(14-19)17-10-7-6-8-11-17/h6-15H,1-5H3/b20-15-.
What are the key properties of methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate?
methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate has a molecular weight of 419.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[4-(dimethylamino)-2-methyl-6-(3-phenylphenoxy)pyrimidin-5-yl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 67742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).