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

C16H20BrN3O — CID 66299705

IUPAC5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2OC)nc(C(C)C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-10(2)15-14(17)16(18-3)20-13(19-15)9-11-7-5-6-8-12(11)21-4/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyHICAJDQQTRNHCI-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.00
Rot. Bonds5

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

5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66299705) 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-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66299705
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2OC)nc(C(C)C)c1Br
InChIInChI=1S/C16H20BrN3O/c1-10(2)15-14(17)16(18-3)20-13(19-15)9-11-7-5-6-8-12(11)21-4/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyHICAJDQQTRNHCI-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550
2-[2-[(2-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62746485
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301089
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-[[2-[(2-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749189
[2-[(2-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201588
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66299705) is 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(Cc2ccccc2OC)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is HICAJDQQTRNHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10(2)15-14(17)16(18-3)20-13(19-15)9-11-7-5-6-8-12(11)21-4/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.00, 5 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66299705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).