2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine

C11H13ClN4O — CID 66021130

IUPAC2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
SMILESCOCc1cc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H13ClN4O/c1-7-4-8(2)14-11(13-7)16-10(12)5-9(15-16)6-17-3/h4-5H,6H2,1-3H3
InChIKeyKNDNRWQHGXLZCE-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.08
Rot. Bonds3

About 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine

2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine (PubChem CID 66021130) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
PubChem CID66021130
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
SMILESCOCc1cc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H13ClN4O/c1-7-4-8(2)14-11(13-7)16-10(12)5-9(15-16)6-17-3/h4-5H,6H2,1-3H3
InChIKeyKNDNRWQHGXLZCE-UHFFFAOYSA-N
XLogP2.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine (CID 66021130) is 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine is COCc1cc(Cl)n(-c2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is KNDNRWQHGXLZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-4-8(2)14-11(13-7)16-10(12)5-9(15-16)6-17-3/h4-5H,6H2,1-3H3.
What are the key properties of 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 252.70 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 66021130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).