methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate

C14H21N3O4 — CID 135998951

IUPACmethyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-6-17(7-10(18)21-5)14(20)11-9(4)15-12(8(2)3)16-13(11)19/h8H,6-7H2,1-5H3,(H,15,16,19)
InChIKeyIOGKTZSFFPBCSI-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate

methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate (PubChem CID 135998951) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate
PubChem CID135998951
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-6-17(7-10(18)21-5)14(20)11-9(4)15-12(8(2)3)16-13(11)19/h8H,6-7H2,1-5H3,(H,15,16,19)
InChIKeyIOGKTZSFFPBCSI-UHFFFAOYSA-N
XLogP0.84
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate (CID 135998951) is methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1c(C)nc(C(C)C)[nH]c1=O.
What is the InChIKey of methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate?
The InChIKey is IOGKTZSFFPBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-6-17(7-10(18)21-5)14(20)11-9(4)15-12(8(2)3)16-13(11)19/h8H,6-7H2,1-5H3,(H,15,16,19).
What are the key properties of methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate?
methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]acetate is sourced from PubChem (CID 135998951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).