4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine

C15H17ClN2O2 — CID 60995827

IUPAC4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(Cc2nc(C)c(C)c(Cl)n2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)17-14(18-15(9)16)8-11-5-6-12(19-3)13(7-11)20-4/h5-7H,8H2,1-4H3
InChIKeyDUHLRTPRJBABSF-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.35
Rot. Bonds4

About 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine

4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine (PubChem CID 60995827) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
PubChem CID60995827
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
SMILESCOc1ccc(Cc2nc(C)c(C)c(Cl)n2)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-9-10(2)17-14(18-15(9)16)8-11-5-6-12(19-3)13(7-11)20-4/h5-7H,8H2,1-4H3
InChIKeyDUHLRTPRJBABSF-UHFFFAOYSA-N
XLogP3.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192366
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
CID 62192255
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]pyrimidine
CID 60864984
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
2-[(3,4-dimethoxyphenyl)methyl]-N,N,5-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 141096268
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,2,4-oxadiazol-5-amine
CID 55096339
1,2-dimethoxy-4-(methylsulfanylmethyl)benzene
CID 12637716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine (CID 60995827) is 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine is COc1ccc(Cc2nc(C)c(C)c(Cl)n2)cc1OC.
What is the InChIKey of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine?
The InChIKey is DUHLRTPRJBABSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-10(2)17-14(18-15(9)16)8-11-5-6-12(19-3)13(7-11)20-4/h5-7H,8H2,1-4H3.
What are the key properties of 4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine?
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine has a molecular weight of 292.77 g/mol, XLogP of 3.35, 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]-5,6-dimethylpyrimidine is sourced from PubChem (CID 60995827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).