ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

C12H17N3O4 — CID 135905419

IUPACethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h8H,2-7H2,1H3,(H,13,14,16)
InChIKeyKSZKVHPIAYRXAH-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.29
Rot. Bonds4

About ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (PubChem CID 135905419) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
PubChem CID135905419
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h8H,2-7H2,1H3,(H,13,14,16)
InChIKeyKSZKVHPIAYRXAH-UHFFFAOYSA-N
XLogP-0.29
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl [1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 57523683
(5-Fluoro-1-methyl-4-morpholin-4-yl-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid methyl ester
CID 57388476
[4-(2-Fluoromethylmorpholin-4-yl)-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 86699264
Ethyl 2-[4-[2-(fluoromethyl)morpholin-4-yl]-1-methyl-6-oxopyrimidin-2-yl]acetate
CID 89846323
(5-Fluoro-4-morpholin-4-yl-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid methyl ester
CID 136069584
2-(5-fluoro-4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetic acid
CID 136069586
(5-Fluoro-4-morpholin-4-yl-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid ethyl ester
CID 136069587
[4-(2-Fluoromethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid
CID 136378673
(+/-)-[4-(2-Fluoromethylmorpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetic acid ethyl ester
CID 136378682
(4-Morpholin-4-yl-6-thioxo-1,6-dihydropyrimidin-2-yl)acetic acid ethyl ester
CID 57405462
Sodium [1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 57523684
2-(1-Methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetic acid
CID 57523685

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (CID 135905419) is ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is CCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The InChIKey is KSZKVHPIAYRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h8H,2-7H2,1H3,(H,13,14,16).
What are the key properties of ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate has a molecular weight of 267.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is sourced from PubChem (CID 135905419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).