5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H14BrCl2N3O — CID 66298412

IUPAC5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(Cl)cc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H14BrCl2N3O/c1-18-14-13(15)11(7-21-2)19-12(20-14)5-8-3-4-9(16)6-10(8)17/h3-4,6H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyGICFWQHYIMEVMU-UHFFFAOYSA-N
MW391.10 g/mol
LogP4.32
Rot. Bonds5

About 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66298412) has the molecular formula C14H14BrCl2N3O and a molecular weight of 391.10 g/mol. Its IUPAC name is 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66298412
Molecular FormulaC14H14BrCl2N3O
Molecular Weight391.10 g/mol
Exact Mass388.97
IUPAC Name5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccc(Cl)cc2Cl)nc(COC)c1Br
InChIInChI=1S/C14H14BrCl2N3O/c1-18-14-13(15)11(7-21-2)19-12(20-14)5-8-3-4-9(16)6-10(8)17/h3-4,6H,5,7H2,1-2H3,(H,18,19,20)
InChIKeyGICFWQHYIMEVMU-UHFFFAOYSA-N
XLogP4.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66300961
6-cyclopropyl-2-[(2,4-dichlorophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66301756
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79780264
2-[(2,4-difluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66302417
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
2-(2,4-dichlorophenyl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297973
5-bromo-2-[(2-chlorophenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66307338
5-bromo-6-(methoxymethyl)-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298207
2-[(2-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66303641
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303631
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66298412) is 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(Cc2ccc(Cl)cc2Cl)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is GICFWQHYIMEVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3O/c1-18-14-13(15)11(7-21-2)19-12(20-14)5-8-3-4-9(16)6-10(8)17/h3-4,6H,5,7H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 391.10 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66298412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).