N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide

C15H23N5O3 — CID 136664818

IUPACN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide
SMILESCN(C)c1nc(C2CC(NC(=O)N3CCOCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-19(2)14-17-12(9-13(21)18-14)10-7-11(8-10)16-15(22)20-3-5-23-6-4-20/h9-11H,3-8H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyTYDIJTQUZRBYJF-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.12
Rot. Bonds3

About N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide

N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide (PubChem CID 136664818) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide
PubChem CID136664818
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide
SMILESCN(C)c1nc(C2CC(NC(=O)N3CCOCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N5O3/c1-19(2)14-17-12(9-13(21)18-14)10-7-11(8-10)16-15(22)20-3-5-23-6-4-20/h9-11H,3-8H2,1-2H3,(H,16,22)(H,17,18,21)
InChIKeyTYDIJTQUZRBYJF-UHFFFAOYSA-N
XLogP0.12
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide (CID 136664818) is N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide is CN(C)c1nc(C2CC(NC(=O)N3CCOCC3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide?
The InChIKey is TYDIJTQUZRBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-19(2)14-17-12(9-13(21)18-14)10-7-11(8-10)16-15(22)20-3-5-23-6-4-20/h9-11H,3-8H2,1-2H3,(H,16,22)(H,17,18,21).
What are the key properties of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide?
N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide has a molecular weight of 321.38 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-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]morpholine-4-carboxamide is sourced from PubChem (CID 136664818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).