3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one

C30H33N7O4 — CID 155387121

IUPAC3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one
SMILESCCCc1nc(C(C)C)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C2=NCON2O)nc1
InChIInChI=1S/C30H33N7O4/c1-5-9-26-24(29(38)36(27(35-26)19(3)4)30-32-16-21(17-33-30)40-6-2)14-20-12-13-25(31-15-20)22-10-7-8-11-23(22)28-34-18-41-37(28)39/h7-8,10-13,15-17,19,39H,5-6,9,14,18H2,1-4H3
InChIKeyKGBVZWROWKXZAO-UHFFFAOYSA-N
MW555.64 g/mol
LogP4.49
Rot. Bonds10

About 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one

3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one (PubChem CID 155387121) has the molecular formula C30H33N7O4 and a molecular weight of 555.64 g/mol. Its IUPAC name is 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one
PubChem CID155387121
Molecular FormulaC30H33N7O4
Molecular Weight555.64 g/mol
Exact Mass555.26
IUPAC Name3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one
SMILESCCCc1nc(C(C)C)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C2=NCON2O)nc1
InChIInChI=1S/C30H33N7O4/c1-5-9-26-24(29(38)36(27(35-26)19(3)4)30-32-16-21(17-33-30)40-6-2)14-20-12-13-25(31-15-20)22-10-7-8-11-23(22)28-34-18-41-37(28)39/h7-8,10-13,15-17,19,39H,5-6,9,14,18H2,1-4H3
InChIKeyKGBVZWROWKXZAO-UHFFFAOYSA-N
XLogP4.49
TPSA127.85 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

2-[5-[[4-butyl-2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxopyrimidin-5-yl]methyl]-2-pyridinyl]-N'-hydroxybenzenecarboximidamide
CID 141371783
6-butyl-3-(5-methoxypyrimidin-2-yl)-2-methyl-5-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]pyrimidin-4-one
CID 51348032
2-[5-[[4-butyl-1-(5-methoxypyrimidin-2-yl)-2-methyl-6-oxopyrimidin-5-yl]methyl]-2-pyridinyl]-N'-hydroxybenzenecarboximidamide
CID 141371781
2-[4-[[4-butyl-1-(5-ethoxypyrimidin-2-yl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]-N'-hydroxybenzenecarboximidamide
CID 76828109
3-[2-[5-[[4-butyl-1-(5-ethoxypyrimidin-1-ium-2-yl)-2-ethyl-6-oxopyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 163759394
2-[5-[[4-butyl-2-cyclobutyl-1-(5-methoxypyrimidin-2-yl)-6-oxopyrimidin-5-yl]methyl]-2-pyridinyl]benzonitrile
CID 67979596
6-butyl-3-(5-ethoxypyrimidin-2-yl)-5-[(4-hydroxy-3,5-dipropylphenyl)methyl]-2-methylpyrimidin-4-one
CID 66760908
N-tert-butyl-2-[4-[[4-butyl-2-cyclohexyl-1-(5-ethoxypyrimidin-2-yl)-6-oxopyrimidin-5-yl]methyl]phenyl]benzenesulfonamide
CID 68753805
2-[2-[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]pyrimidin-5-yl]oxyacetamide
CID 58075166
6-butyl-2-methyl-3-(5-propoxypyrimidin-2-yl)-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 46945381
CID 88997482
CID 88997482
ethyl 2-[4-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethyl-6-oxo-4-propylpyrimidin-1-yl]phenoxy]propanoate
CID 143886495

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one?
The IUPAC name of 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one (CID 155387121) is 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one.
What is the SMILES notation for 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one?
The canonical SMILES for 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one is CCCc1nc(C(C)C)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C2=NCON2O)nc1.
What is the InChIKey of 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one?
The InChIKey is KGBVZWROWKXZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O4/c1-5-9-26-24(29(38)36(27(35-26)19(3)4)30-32-16-21(17-33-30)40-6-2)14-20-12-13-25(31-15-20)22-10-7-8-11-23(22)28-34-18-41-37(28)39/h7-8,10-13,15-17,19,39H,5-6,9,14,18H2,1-4H3.
What are the key properties of 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one?
3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one has a molecular weight of 555.64 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxypyrimidin-2-yl)-5-[[6-[2-(2-hydroxy-5H-1,2,4-oxadiazol-3-yl)phenyl]-3-pyridinyl]methyl]-2-propan-2-yl-6-propylpyrimidin-4-one is sourced from PubChem (CID 155387121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).