propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H29N3O3 — CID 110845542

IUPACpropan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCN(Cc1ccccc1)c1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-27(15-18-9-7-6-8-10-18)20-13-11-19(12-14-20)22-21(23(28)30-16(2)3)17(4)25-24(29)26-22/h6-14,16,22H,5,15H2,1-4H3,(H2,25,26,29)
InChIKeyLXULGPCLSONENT-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.29
Rot. Bonds7

About propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110845542) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110845542
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Namepropan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCN(Cc1ccccc1)c1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1
InChIInChI=1S/C24H29N3O3/c1-5-27(15-18-9-7-6-8-10-18)20-13-11-19(12-14-20)22-21(23(28)30-16(2)3)17(4)25-24(29)26-22/h6-14,16,22H,5,15H2,1-4H3,(H2,25,26,29)
InChIKeyLXULGPCLSONENT-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110845542) is propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCN(Cc1ccccc1)c1ccc(C2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is LXULGPCLSONENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-5-27(15-18-9-7-6-8-10-18)20-13-11-19(12-14-20)22-21(23(28)30-16(2)3)17(4)25-24(29)26-22/h6-14,16,22H,5,15H2,1-4H3,(H2,25,26,29).
What are the key properties of propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 407.51 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-[benzyl(ethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110845542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).