[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate

C19H22N2O5 — CID 67669234

IUPAC[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C19H22N2O5/c1-12(2)14-7-6-8-15(11-14)25-19-17(26-16(22)9-10-23-4)18(24-5)20-13(3)21-19/h6-12H,1-5H3
InChIKeyPISVBBNHTFJDTC-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.77
Rot. Bonds7

About [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate

[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate (PubChem CID 67669234) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate.

Molecular Properties

Compound Name[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate
PubChem CID67669234
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate
SMILESCOC=CC(=O)Oc1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C19H22N2O5/c1-12(2)14-7-6-8-15(11-14)25-19-17(26-16(22)9-10-23-4)18(24-5)20-13(3)21-19/h6-12H,1-5H3
InChIKeyPISVBBNHTFJDTC-UHFFFAOYSA-N
XLogP3.77
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.77
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'}

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Related Compounds

methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
CID 67742279
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
2-methoxy-6-(3-propan-2-ylphenoxy)pyridin-3-amine
CID 43262016
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
methyl (Z)-3-methoxy-2-[4-methoxy-2-methyl-6-(3-methyl-5-propan-2-ylphenoxy)pyrimidin-5-yl]prop-2-enoate
CID 67742301
3-[3-(3-propan-2-ylphenoxy)phenyl]prop-2-enoic acid
CID 77013834
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545
[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
[5-methyl-6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 80628637
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate?
The IUPAC name of [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate (CID 67669234) is [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate.
What is the SMILES notation for [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate?
The canonical SMILES for [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate is COC=CC(=O)Oc1c(OC)nc(C)nc1Oc1cccc(C(C)C)c1.
What is the InChIKey of [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate?
The InChIKey is PISVBBNHTFJDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)14-7-6-8-15(11-14)25-19-17(26-16(22)9-10-23-4)18(24-5)20-13(3)21-19/h6-12H,1-5H3.
What are the key properties of [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate?
[4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate has a molecular weight of 358.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-5-yl] 3-methoxyprop-2-enoate is sourced from PubChem (CID 67669234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).