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

C14H21N3O4 — CID 137007730

IUPACmethyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCO1
InChIInChI=1S/C14H21N3O4/c1-9(2)14-15-11(7-12(18)16-14)17-4-5-21-10(8-17)6-13(19)20-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,18)
InChIKeyXOHATPYQKXTQPU-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.66
Rot. Bonds4

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

methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 137007730) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID137007730
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCO1
InChIInChI=1S/C14H21N3O4/c1-9(2)14-15-11(7-12(18)16-14)17-4-5-21-10(8-17)6-13(19)20-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,18)
InChIKeyXOHATPYQKXTQPU-UHFFFAOYSA-N
XLogP0.66
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-(2-Methylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136238744
Ethyl 3-methyl-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]butanoate
CID 136352206
[4-(2-Ethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378675
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
CID 136622037
sodium 2-[4-(2-ethylmorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 141628987
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)propanoate
CID 144115888
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
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (CID 137007730) is methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2cc(=O)[nH]c(C(C)C)n2)CCO1.
What is the InChIKey of methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is XOHATPYQKXTQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)14-15-11(7-12(18)16-14)17-4-5-21-10(8-17)6-13(19)20-3/h7,9-10H,4-6,8H2,1-3H3,(H,15,16,18).
What are the key properties of methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 295.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 137007730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).