methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate

C14H19N3O4 — CID 137007733

IUPACmethyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)6-10-8-17(4-5-21-10)11-7-12(18)16-14(15-11)9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,15,16,18)
InChIKeyDKXYQUSMFHYBGS-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate

methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 137007733) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID137007733
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C14H19N3O4/c1-20-13(19)6-10-8-17(4-5-21-10)11-7-12(18)16-14(15-11)9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,15,16,18)
InChIKeyDKXYQUSMFHYBGS-UHFFFAOYSA-N
XLogP0.42
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (CID 137007733) is methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is DKXYQUSMFHYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-13(19)6-10-8-17(4-5-21-10)11-7-12(18)16-14(15-11)9-2-3-9/h7,9-10H,2-6,8H2,1H3,(H,15,16,18).
What are the key properties of methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 293.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 137007733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).