1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone

C7H7ClN2O2 — CID 163278723

IUPAC1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
SMILESCOc1cnc(C(C)=O)nc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(11)7-9-3-5(12-2)6(8)10-7/h3H,1-2H3
InChIKeySVBSZDMBCKXIBO-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.34
Rot. Bonds2

About 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone

1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone (PubChem CID 163278723) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
PubChem CID163278723
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
SMILESCOc1cnc(C(C)=O)nc1Cl
InChIInChI=1S/C7H7ClN2O2/c1-4(11)7-9-3-5(12-2)6(8)10-7/h3H,1-2H3
InChIKeySVBSZDMBCKXIBO-UHFFFAOYSA-N
XLogP1.34
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-chloro-5-methoxypyrimidine-2-carboxamide
CID 87940203
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
5-methoxy-2-methylpyrimidine-4-carbonyl chloride
CID 119084988
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
CID 134323813
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
2-amino-5-methoxypyrimidine-4-carboxylic acid
CID 83816093
1-(5-amino-3-methoxy-2-pyridinyl)ethanone
CID 130047706
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone (CID 163278723) is 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone is COc1cnc(C(C)=O)nc1Cl.
What is the InChIKey of 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone?
The InChIKey is SVBSZDMBCKXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4(11)7-9-3-5(12-2)6(8)10-7/h3H,1-2H3.
What are the key properties of 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone?
1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone has a molecular weight of 186.60 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone is sourced from PubChem (CID 163278723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).