4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine

C13H13ClN2O2 — CID 60864984

IUPAC4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(Cc2nccc(Cl)n2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-10-4-3-9(7-11(10)18-2)8-13-15-6-5-12(14)16-13/h3-7H,8H2,1-2H3
InChIKeyHMOAEMXTOKZZTF-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.74
Rot. Bonds4

About 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine (PubChem CID 60864984) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
PubChem CID60864984
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(Cc2nccc(Cl)n2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-10-4-3-9(7-11(10)18-2)8-13-15-6-5-12(14)16-13/h3-7H,8H2,1-2H3
InChIKeyHMOAEMXTOKZZTF-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine;2-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 160925645
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
1-[3-[2-[(3,4-dimethoxyphenyl)methyl]pyrimidin-4-yl]phenyl]ethanone
CID 147570316
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 142928408
(1R)-1-[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 103822484
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
4-chloro-2-[(4-methoxy-3-nitrophenyl)methyl]-6-methylpyrimidine chloride
CID 53351995
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine (CID 60864984) is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine is COc1ccc(Cc2nccc(Cl)n2)cc1OC.
What is the InChIKey of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine?
The InChIKey is HMOAEMXTOKZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-10-4-3-9(7-11(10)18-2)8-13-15-6-5-12(14)16-13/h3-7H,8H2,1-2H3.
What are the key properties of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine?
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 60864984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).