methyl 2-(2H-pyrimidin-1-yl)acetate

C7H10N2O2 — CID 151979836

IUPACmethyl 2-(2H-pyrimidin-1-yl)acetate
SMILESCOC(=O)CN1C=CC=NC1
InChIInChI=1S/C7H10N2O2/c1-11-7(10)5-9-4-2-3-8-6-9/h2-4H,5-6H2,1H3
InChIKeyUCLDDUUQQYAEDJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.02
Rot. Bonds2

About methyl 2-(2H-pyrimidin-1-yl)acetate

methyl 2-(2H-pyrimidin-1-yl)acetate (PubChem CID 151979836) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 2-(2H-pyrimidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2H-pyrimidin-1-yl)acetate
PubChem CID151979836
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 2-(2H-pyrimidin-1-yl)acetate
SMILESCOC(=O)CN1C=CC=NC1
InChIInChI=1S/C7H10N2O2/c1-11-7(10)5-9-4-2-3-8-6-9/h2-4H,5-6H2,1H3
InChIKeyUCLDDUUQQYAEDJ-UHFFFAOYSA-N
XLogP0.02
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Pyrimidin-1(2H)-yl)acetic acid
CID 23039184
(1-Pyrimidyl)propionic acid
CID 129677895
Ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
CID 81296532
Ethyl 2-(2-oxopyrimidin-1-yl)acetate
CID 13306026
methyl 2-methyl-1H-pyrimidine-2-carboxylate
CID 22051117
Methyl 2-(1,4-diazepin-1-yl)acetate
CID 56633887
Pyrimidine-1-acetate
CID 86754110
Ethyl 1,2-dihydropyrimidine-2-carboxylate
CID 130412496
ethyl 2-(2H-pyrimidin-1-yl)acetate
CID 140392986
Ethyl 2-(1,4-diazepin-1-yl)acetate
CID 141158323
methyl 1-amino-2H-pyrimidine-2-carboxylate
CID 141332589
Methyl 2-(6-amino-2-oxopyrimidin-1-yl)acetate
CID 141606585

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-pyrimidin-1-yl)acetate?
The IUPAC name of methyl 2-(2H-pyrimidin-1-yl)acetate (CID 151979836) is methyl 2-(2H-pyrimidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2H-pyrimidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2H-pyrimidin-1-yl)acetate is COC(=O)CN1C=CC=NC1.
What is the InChIKey of methyl 2-(2H-pyrimidin-1-yl)acetate?
The InChIKey is UCLDDUUQQYAEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-11-7(10)5-9-4-2-3-8-6-9/h2-4H,5-6H2,1H3.
What are the key properties of methyl 2-(2H-pyrimidin-1-yl)acetate?
methyl 2-(2H-pyrimidin-1-yl)acetate has a molecular weight of 154.17 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-pyrimidin-1-yl)acetate is sourced from PubChem (CID 151979836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).