5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C15H18BrN3O — CID 66304033

IUPAC5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC(C)C)cc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-9(2)20-12-7-5-11(6-8-12)14-18-10(3)13(16)15(17-4)19-14/h5-9H,1-4H3,(H,17,18,19)
InChIKeyMCHUARUFRKJRKX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.04
Rot. Bonds4

About 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 66304033) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID66304033
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC(C)C)cc2)nc(C)c1Br
InChIInChI=1S/C15H18BrN3O/c1-9(2)20-12-7-5-11(6-8-12)14-18-10(3)13(16)15(17-4)19-14/h5-9H,1-4H3,(H,17,18,19)
InChIKeyMCHUARUFRKJRKX-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
[5,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]hydrazine
CID 62252624
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
2-[4-(difluoromethoxy)phenyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62204014
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
5-bromo-4-chloro-6-ethyl-2-(4-propan-2-yloxyphenyl)pyrimidine
CID 66313620
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059
5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295836
2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80978807
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-4-chloro-2-(4-propan-2-yloxyphenyl)-6-propylpyrimidine
CID 66312237
6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62318785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 66304033) is 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CNc1nc(-c2ccc(OC(C)C)cc2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is MCHUARUFRKJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)20-12-7-5-11(6-8-12)14-18-10(3)13(16)15(17-4)19-14/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66304033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).