N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine

C14H16BrN3O2 — CID 133300412

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(CNc2cc(C)ncn2)cc(Br)c1OC
InChIInChI=1S/C14H16BrN3O2/c1-9-4-13(18-8-17-9)16-7-10-5-11(15)14(20-3)12(6-10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyLLCFEGFPJWONHA-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.18
Rot. Bonds5

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 133300412) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine
PubChem CID133300412
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(CNc2cc(C)ncn2)cc(Br)c1OC
InChIInChI=1S/C14H16BrN3O2/c1-9-4-13(18-8-17-9)16-7-10-5-11(15)14(20-3)12(6-10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyLLCFEGFPJWONHA-UHFFFAOYSA-N
XLogP3.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133371984
2,4-dibromo-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]aniline
CID 43683217
3-[(3-bromo-4,5-dimethoxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 133284743
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63997065
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569253
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305915
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-difluoroaniline
CID 61075731
N-[3-(3,4-dimethoxyphenyl)propyl]-6-methylpyrimidin-4-amine
CID 133299019

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine (CID 133300412) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine is COc1cc(CNc2cc(C)ncn2)cc(Br)c1OC.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is LLCFEGFPJWONHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-4-13(18-8-17-9)16-7-10-5-11(15)14(20-3)12(6-10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 338.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133300412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).