1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide

C24H31N5O4 — CID 143149727

IUPAC1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCCCn1cc(-c2ccccc2CNC(=O)c2nc(C(C)(C)OC)n(CC)c(=O)c2O)cn1
InChIInChI=1S/C24H31N5O4/c1-6-12-28-15-17(14-26-28)18-11-9-8-10-16(18)13-25-21(31)19-20(30)22(32)29(7-2)23(27-19)24(3,4)33-5/h8-11,14-15,30H,6-7,12-13H2,1-5H3,(H,25,31)
InChIKeyKVECBFMXJPZSCS-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.05
Rot. Bonds9

About 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide

1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide (PubChem CID 143149727) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide
PubChem CID143149727
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide
SMILESCCCn1cc(-c2ccccc2CNC(=O)c2nc(C(C)(C)OC)n(CC)c(=O)c2O)cn1
InChIInChI=1S/C24H31N5O4/c1-6-12-28-15-17(14-26-28)18-11-9-8-10-16(18)13-25-21(31)19-20(30)22(32)29(7-2)23(27-19)24(3,4)33-5/h8-11,14-15,30H,6-7,12-13H2,1-5H3,(H,25,31)
InChIKeyKVECBFMXJPZSCS-UHFFFAOYSA-N
XLogP3.05
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide (CID 143149727) is 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide is CCCn1cc(-c2ccccc2CNC(=O)c2nc(C(C)(C)OC)n(CC)c(=O)c2O)cn1.
What is the InChIKey of 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is KVECBFMXJPZSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-6-12-28-15-17(14-26-28)18-11-9-8-10-16(18)13-25-21(31)19-20(30)22(32)29(7-2)23(27-19)24(3,4)33-5/h8-11,14-15,30H,6-7,12-13H2,1-5H3,(H,25,31).
What are the key properties of 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide?
1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-hydroxy-2-(2-methoxypropan-2-yl)-6-oxo-N-[[2-(1-propylpyrazol-4-yl)phenyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 143149727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).