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

C12H17N3O4 — CID 136989712

IUPACmethyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C12H17N3O4/c1-8-13-10(6-11(16)14-8)15-3-4-19-9(7-15)5-12(17)18-2/h6,9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyUDMAWRYJECNPSA-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.15
Rot. Bonds3

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

methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 136989712) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID136989712
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C)n2)CCO1
InChIInChI=1S/C12H17N3O4/c1-8-13-10(6-11(16)14-8)15-3-4-19-9(7-15)5-12(17)18-2/h6,9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyUDMAWRYJECNPSA-UHFFFAOYSA-N
XLogP-0.15
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(+/-)-[4-(2-Fluoromethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378682
[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136238744
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378675
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378676
sodium 2-[4-(2-ethylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 141628987
2-[4-(2-ethylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 144410216
2-[4-(2-methylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 144410220
ethane;ethyl 2-[4-(2-methylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 144410238
3-methoxy-4-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845288
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
4-(2-ethylmorpholin-4-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957493
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (CID 136989712) is methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2cc(=O)[nH]c(C)n2)CCO1.
What is the InChIKey of methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is UDMAWRYJECNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-13-10(6-11(16)14-8)15-3-4-19-9(7-15)5-12(17)18-2/h6,9H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 267.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 136989712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).