methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate

C14H19N3O4 — CID 135998952

IUPACmethyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-4-17(7-10(18)21-3)14(20)11-8(2)15-12(9-5-6-9)16-13(11)19/h9H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyFJQZXHHHNKXPCA-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.59
Rot. Bonds5

About methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate

methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate (PubChem CID 135998952) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate
PubChem CID135998952
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-4-17(7-10(18)21-3)14(20)11-8(2)15-12(9-5-6-9)16-13(11)19/h9H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyFJQZXHHHNKXPCA-UHFFFAOYSA-N
XLogP0.59
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate (CID 135998952) is methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate?
The InChIKey is FJQZXHHHNKXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-4-17(7-10(18)21-3)14(20)11-8(2)15-12(9-5-6-9)16-13(11)19/h9H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate?
methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate has a molecular weight of 293.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 135998952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).