5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

C12H17BrN2O2 — CID 136964065

IUPAC5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H17BrN2O2/c1-4-12(2,17-3)11-14-9(7-5-6-7)8(13)10(16)15-11/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyUAJHQXKDNIVIEQ-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.68
Rot. Bonds4

About 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one

5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136964065) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
PubChem CID136964065
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C12H17BrN2O2/c1-4-12(2,17-3)11-14-9(7-5-6-7)8(13)10(16)15-11/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyUAJHQXKDNIVIEQ-UHFFFAOYSA-N
XLogP2.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963868
5-bromo-4-tert-butyl-2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136963923
5-bromo-6-cyclopropyl-N-ethyl-2-(2-methoxybutan-2-yl)pyrimidin-4-amine
CID 116777186
5-bromo-6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116777193
2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223
2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963738
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983389
5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one (CID 136964065) is 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is CCC(C)(OC)c1nc(C2CC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is UAJHQXKDNIVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-4-12(2,17-3)11-14-9(7-5-6-7)8(13)10(16)15-11/h7H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 301.18 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).