2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine

C9H7ClN4O — CID 105371526

IUPAC2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
SMILESCOc1nccnc1-c1ncncc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-9-8(12-2-3-13-9)7-6(10)4-11-5-14-7/h2-5H,1H3
InChIKeyJNHHQOOQGMTNNW-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.60
Rot. Bonds2

About 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine

2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine (PubChem CID 105371526) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine.

Molecular Properties

Compound Name2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
PubChem CID105371526
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
SMILESCOc1nccnc1-c1ncncc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-9-8(12-2-3-13-9)7-6(10)4-11-5-14-7/h2-5H,1H3
InChIKeyJNHHQOOQGMTNNW-UHFFFAOYSA-N
XLogP1.60
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 104516547
2-chloro-4-methoxy-6-(3-methoxypyrazin-2-yl)-1,3,5-triazine
CID 104516518
4-chloro-2-(3-methoxypyrazin-2-yl)-1,3-thiazole
CID 104516513
3-(3-methoxypyrazin-2-yl)cyclopent-2-en-1-one
CID 104516383
5-chloro-4-(5-methyl-3-pyridinyl)pyrimidine
CID 105371438
5-chloro-4-iodopyrimidine
CID 112694385
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
3,4-dichloro-2-methoxypyridine
CID 57485134
4-methoxy-5-(3-methoxy-2-pyridinyl)pyrimidine
CID 173069902
5-chloro-4-(4-propan-2-yloxyphenyl)pyrimidine
CID 105371122
4-chloro-3-(3-methoxypyrazin-2-yl)benzoic acid
CID 107989853
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine?
The IUPAC name of 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine (CID 105371526) is 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine.
What is the SMILES notation for 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine?
The canonical SMILES for 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine is COc1nccnc1-c1ncncc1Cl.
What is the InChIKey of 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine?
The InChIKey is JNHHQOOQGMTNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c1-15-9-8(12-2-3-13-9)7-6(10)4-11-5-14-7/h2-5H,1H3.
What are the key properties of 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine?
2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine has a molecular weight of 222.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine is sourced from PubChem (CID 105371526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).