1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid

C9H10N2O3 — CID 84773073

IUPAC1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CC2)nc1
InChIInChI=1S/C9H10N2O3/c1-14-6-4-10-7(11-5-6)9(2-3-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyVWVPBMSQQRJTHG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.60
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid

1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 84773073) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID84773073
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CC2)nc1
InChIInChI=1S/C9H10N2O3/c1-14-6-4-10-7(11-5-6)9(2-3-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyVWVPBMSQQRJTHG-UHFFFAOYSA-N
XLogP0.60
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxypyrimidine-2-carboxylic acid
CID 12626246
[2-(Trifluoromethyl)pyrimidin-5-yl] 3-methylbutanoate
CID 17769121
Ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]-2-methylpropanoate
CID 176157218
Ethyl 2-[5-[bromo(difluoro)methoxy]pyrimidin-2-yl]-2-methylpropanoate
CID 176157323
2-[5-(Difluoromethoxy)pyrimidin-2-yl]-2-methylpropanoic acid
CID 176157328
Ethyl 2-methyl-2-[5-(trifluoromethoxy)pyrimidin-2-yl]propanoate
CID 176157337
2-Methyl-2-[5-(trifluoromethoxy)pyrimidin-2-yl]propanoic acid
CID 176157381
Ethyl 5-methoxy-2-pyrimidinylcyanoacetate
CID 13289228
5-Ethoxy-2-(1-methylcyclopropyl)pyrimidine
CID 13292804
2-(1-Methylcyclopropyl)pyrimidin-5-ol
CID 13292806
(2-Tert-butylpyrimidin-5-yl) 3,3-dimethylbutanoate
CID 17769111
(2-Methylpyrimidin-5-yl) 3-methylbutanoate
CID 17769161

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid (CID 84773073) is 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid is COc1cnc(C2(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is VWVPBMSQQRJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-6-4-10-7(11-5-6)9(2-3-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid?
1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84773073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).