methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate

C9H10N2O4 — CID 170500556

IUPACmethyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-15-7(12)4-2-3-6-8(13)10-5-11-9(6)14/h2-3,5H,4H2,1H3,(H2,10,11,13,14)
InChIKeyQOGJREXDYXLTHJ-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.05
Rot. Bonds3

About methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate

methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate (PubChem CID 170500556) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate
PubChem CID170500556
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O4/c1-15-7(12)4-2-3-6-8(13)10-5-11-9(6)14/h2-3,5H,4H2,1H3,(H2,10,11,13,14)
InChIKeyQOGJREXDYXLTHJ-UHFFFAOYSA-N
XLogP0.05
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]but-3-enoate
CID 170501498
4,5-bis[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;methyl acetate
CID 144368856
N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465111
tert-butyl N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]carbamate
CID 169467166
4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473275
methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478762
ethyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169480121
4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
CID 170476227
4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enal
CID 170481532
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483047
4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483248
5-(4-aminobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170486632

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The IUPAC name of methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate (CID 170500556) is methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate.
What is the SMILES notation for methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The canonical SMILES for methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate is COC(=O)CC=Cc1c(O)nc[nH]c1=O.
What is the InChIKey of methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
The InChIKey is QOGJREXDYXLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-7(12)4-2-3-6-8(13)10-5-11-9(6)14/h2-3,5H,4H2,1H3,(H2,10,11,13,14).
What are the key properties of methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate?
methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate has a molecular weight of 210.19 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoate is sourced from PubChem (CID 170500556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).