N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

C13H14BrN3O — CID 112691839

IUPACN-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3O/c1-9-7-12(18-2)17-13(16-9)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyRKWWPDZEBTZULA-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine

N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 112691839) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID112691839
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3O/c1-9-7-12(18-2)17-13(16-9)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyRKWWPDZEBTZULA-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112706250
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 154735469
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 115626945
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
CID 82489775
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine (CID 112691839) is N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NCc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is RKWWPDZEBTZULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-7-12(18-2)17-13(16-9)15-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine?
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112691839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).