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

C16H22N4O3 — CID 136664963

IUPACN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)N1CCOCC1
InChIInChI=1S/C16H22N4O3/c21-14-9-13(18-15(19-14)10-1-2-10)11-7-12(8-11)17-16(22)20-3-5-23-6-4-20/h9-12H,1-8H2,(H,17,22)(H,18,19,21)
InChIKeyNOFPWOBQFUMBLW-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.94
Rot. Bonds3

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

N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide (PubChem CID 136664963) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide
PubChem CID136664963
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide
SMILESO=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)N1CCOCC1
InChIInChI=1S/C16H22N4O3/c21-14-9-13(18-15(19-14)10-1-2-10)11-7-12(8-11)17-16(22)20-3-5-23-6-4-20/h9-12H,1-8H2,(H,17,22)(H,18,19,21)
InChIKeyNOFPWOBQFUMBLW-UHFFFAOYSA-N
XLogP0.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide (CID 136664963) is N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide is O=C(NC1CC(c2cc(=O)[nH]c(C3CC3)n2)C1)N1CCOCC1.
What is the InChIKey of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide?
The InChIKey is NOFPWOBQFUMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-14-9-13(18-15(19-14)10-1-2-10)11-7-12(8-11)17-16(22)20-3-5-23-6-4-20/h9-12H,1-8H2,(H,17,22)(H,18,19,21).
What are the key properties of N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide?
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide is sourced from PubChem (CID 136664963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).