N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine

C12H12BrN3O — CID 66327634

IUPACN-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cccc(Br)c2)ncn1
InChIInChI=1S/C12H12BrN3O/c1-17-12-6-11(15-8-16-12)14-7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyOCGPXQXQXVASKS-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.86
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine

N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 66327634) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID66327634
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCc2cccc(Br)c2)ncn1
InChIInChI=1S/C12H12BrN3O/c1-17-12-6-11(15-8-16-12)14-7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3,(H,14,15,16)
InChIKeyOCGPXQXQXVASKS-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
2-[[6-[(3-bromophenyl)methylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115264865
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzoic acid
CID 66320083
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]-N-methylbenzamide
CID 50983438
N-[(3,4-difluorophenyl)methyl]-6-methoxypyrimidin-4-amine
CID 66327229
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859045
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine (CID 66327634) is N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCc2cccc(Br)c2)ncn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is OCGPXQXQXVASKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-12-6-11(15-8-16-12)14-7-9-3-2-4-10(13)5-9/h2-6,8H,7H2,1H3,(H,14,15,16).
What are the key properties of N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine?
N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66327634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).