N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C16H20N4O3 — CID 2950799

IUPACN-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)N=C(N2CCOCC2)N1
InChIInChI=1S/C16H20N4O3/c21-14-10-13(15(22)17-11-12-4-2-1-3-5-12)18-16(19-14)20-6-8-23-9-7-20/h1-5,13H,6-11H2,(H,17,22)(H,18,19,21)
InChIKeyWFLDCIKADDYFLF-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.12
Rot. Bonds3

About N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2950799) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID2950799
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)N=C(N2CCOCC2)N1
InChIInChI=1S/C16H20N4O3/c21-14-10-13(15(22)17-11-12-4-2-1-3-5-12)18-16(19-14)20-6-8-23-9-7-20/h1-5,13H,6-11H2,(H,17,22)(H,18,19,21)
InChIKeyWFLDCIKADDYFLF-UHFFFAOYSA-N
XLogP-0.12
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2950799) is N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is O=C1CC(C(=O)NCc2ccccc2)N=C(N2CCOCC2)N1.
What is the InChIKey of N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is WFLDCIKADDYFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-14-10-13(15(22)17-11-12-4-2-1-3-5-12)18-16(19-14)20-6-8-23-9-7-20/h1-5,13H,6-11H2,(H,17,22)(H,18,19,21).
What are the key properties of N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2950799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).