2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine

C14H14Cl2N2O2 — CID 115531650

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-19-14(20-2)12-6-7-17-13(18-12)8-9-10(15)4-3-5-11(9)16/h3-7,14H,8H2,1-2H3
InChIKeySCAUVBXLOHXOJE-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine

2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine (PubChem CID 115531650) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine
PubChem CID115531650
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine
SMILESCOC(OC)c1ccnc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H14Cl2N2O2/c1-19-14(20-2)12-6-7-17-13(18-12)8-9-10(15)4-3-5-11(9)16/h3-7,14H,8H2,1-2H3
InChIKeySCAUVBXLOHXOJE-UHFFFAOYSA-N
XLogP3.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
CID 55262615
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
methyl 4-amino-2-[(2,6-dichlorophenyl)methyl]pyrimidine-5-carboxylate
CID 116646730
4-(dimethoxymethyl)-2-phenylpyrimidine
CID 79020331
2-(3,5-dichlorophenyl)-4-(dimethoxymethyl)pyrimidine
CID 114015736
1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone
CID 62770130
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
CID 58958507
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
4-(dimethoxymethyl)-2-[(2-methyloxan-4-yl)methyl]pyrimidine
CID 142531156
4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
CID 66316635
(1R)-1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901558
4-(dimethoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 115531652

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine (CID 115531650) is 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine is COC(OC)c1ccnc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine?
The InChIKey is SCAUVBXLOHXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-19-14(20-2)12-6-7-17-13(18-12)8-9-10(15)4-3-5-11(9)16/h3-7,14H,8H2,1-2H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine?
2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine has a molecular weight of 313.18 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-4-(dimethoxymethyl)pyrimidine is sourced from PubChem (CID 115531650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).