methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate

C24H33N3O3 — CID 70795387

IUPACmethyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc(N2CCOCC2)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-6-7-20(23(28)29-5)21-17(4)25-24(27-12-14-30-15-13-27)26-22(21)19-10-8-18(9-11-19)16(2)3/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeyQYAGFXMNWUXTBY-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.47
Rot. Bonds7

About methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate

methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate (PubChem CID 70795387) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate
PubChem CID70795387
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Namemethyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate
SMILESCCCC(C(=O)OC)c1c(C)nc(N2CCOCC2)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C24H33N3O3/c1-6-7-20(23(28)29-5)21-17(4)25-24(27-12-14-30-15-13-27)26-22(21)19-10-8-18(9-11-19)16(2)3/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeyQYAGFXMNWUXTBY-UHFFFAOYSA-N
XLogP4.47
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate?
The IUPAC name of methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate (CID 70795387) is methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate.
What is the SMILES notation for methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate?
The canonical SMILES for methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate is CCCC(C(=O)OC)c1c(C)nc(N2CCOCC2)nc1-c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate?
The InChIKey is QYAGFXMNWUXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-6-7-20(23(28)29-5)21-17(4)25-24(27-12-14-30-15-13-27)26-22(21)19-10-8-18(9-11-19)16(2)3/h8-11,16,20H,6-7,12-15H2,1-5H3.
What are the key properties of methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate?
methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate has a molecular weight of 411.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-morpholin-4-yl-6-(4-propan-2-ylphenyl)pyrimidin-5-yl]pentanoate is sourced from PubChem (CID 70795387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).