2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one

C16H21N3O3 — CID 138022187

IUPAC2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCC1(C2CC2)COCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-16(11-4-5-11)9-22-7-6-19(16)15(21)12-8-17-13(10-2-3-10)18-14(12)20/h8,10-11H,2-7,9H2,1H3,(H,17,18,20)
InChIKeyFHCCYLJVMJMXER-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds3

About 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one (PubChem CID 138022187) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
PubChem CID138022187
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESCC1(C2CC2)COCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C16H21N3O3/c1-16(11-4-5-11)9-22-7-6-19(16)15(21)12-8-17-13(10-2-3-10)18-14(12)20/h8,10-11H,2-7,9H2,1H3,(H,17,18,20)
InChIKeyFHCCYLJVMJMXER-UHFFFAOYSA-N
XLogP1.29
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one (CID 138022187) is 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one is CC1(C2CC2)COCCN1C(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is FHCCYLJVMJMXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(11-4-5-11)9-22-7-6-19(16)15(21)12-8-17-13(10-2-3-10)18-14(12)20/h8,10-11H,2-7,9H2,1H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 303.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-cyclopropyl-3-methylmorpholine-4-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 138022187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).