2-chloro-4,6-dimethoxypyrimidine

C6H7ClN2O2 — CID 5152323

IUPAC2-chloro-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Cl)n1
InChIInChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3
InChIKeyPBEKEFWBLFBSGQ-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.15
Rot. Bonds2

About 2-chloro-4,6-dimethoxypyrimidine

2-chloro-4,6-dimethoxypyrimidine (PubChem CID 5152323) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-chloro-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-dimethoxypyrimidine
PubChem CID5152323
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-chloro-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Cl)n1
InChIInChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3
InChIKeyPBEKEFWBLFBSGQ-UHFFFAOYSA-N
XLogP1.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrimidinamine, 4-chloro-6-methoxy-
CID 79811
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
CID 838363
4-Chloro-2,6-dimethoxypyrimidine
CID 80600
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4,6-Trimethoxypyrimidine
CID 726938
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
2,4-Diamino-6-methoxypyrimidine
CID 816925
2-Chloro-4-methoxypyrimidine
CID 588935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethoxypyrimidine?
The IUPAC name of 2-chloro-4,6-dimethoxypyrimidine (CID 5152323) is 2-chloro-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-chloro-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-chloro-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Cl)n1.
What is the InChIKey of 2-chloro-4,6-dimethoxypyrimidine?
The InChIKey is PBEKEFWBLFBSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3.
What are the key properties of 2-chloro-4,6-dimethoxypyrimidine?
2-chloro-4,6-dimethoxypyrimidine has a molecular weight of 174.59 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethoxypyrimidine is sourced from PubChem (CID 5152323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).