5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine

C14H16BrN3O — CID 106998870

IUPAC5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)c2cc(C)cc(C)c2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-9-5-10(2)7-11(6-9)18(3)14-16-8-12(15)13(17-14)19-4/h5-8H,1-4H3
InChIKeyOCNMLTJAIDCXLA-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine

5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 106998870) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID106998870
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)c2cc(C)cc(C)c2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-9-5-10(2)7-11(6-9)18(3)14-16-8-12(15)13(17-14)19-4/h5-8H,1-4H3
InChIKeyOCNMLTJAIDCXLA-UHFFFAOYSA-N
XLogP3.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 132557093
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
N-[(4-aminophenyl)methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106998375
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 106999636
N-[[4-(aminomethyl)phenyl]methyl]-5-bromo-4-methoxy-N-methylpyrimidin-2-amine
CID 106997357
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 103745889
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
CID 103817617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine (CID 106998870) is 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine is COc1nc(N(C)c2cc(C)cc(C)c2)ncc1Br.
What is the InChIKey of 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is OCNMLTJAIDCXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-5-10(2)7-11(6-9)18(3)14-16-8-12(15)13(17-14)19-4/h5-8H,1-4H3.
What are the key properties of 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine?
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 106998870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).