5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

C16H20BrN3O — CID 66305550

IUPAC5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2OC)nc(NC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-7-12-15(17)16(18-2)20-14(19-12)10-11-8-5-6-9-13(11)21-3/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20)
InChIKeyVVOCCVGWGTXJBC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.83
Rot. Bonds6

About 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305550) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305550
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccccc2OC)nc(NC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-7-12-15(17)16(18-2)20-14(19-12)10-11-8-5-6-9-13(11)21-3/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20)
InChIKeyVVOCCVGWGTXJBC-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
5-bromo-N-ethyl-2-[(2-fluorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66305359
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
5-bromo-2-(2,2-dimethylpropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305753
4-chloro-6-ethyl-5-iodo-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 66293614
5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623
5-bromo-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 66304757
N-ethyl-2-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62188844
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine (CID 66305550) is 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccccc2OC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is VVOCCVGWGTXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-7-12-15(17)16(18-2)20-14(19-12)10-11-8-5-6-9-13(11)21-3/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).