5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine

C15H18BrN3O — CID 66299648

IUPAC5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC)c2)nc(CC)c1Br
InChIInChI=1S/C15H18BrN3O/c1-4-12-13(16)15(17-5-2)19-14(18-12)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUGVQWSOLJAXYRU-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds5

About 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine

5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 66299648) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID66299648
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cccc(OC)c2)nc(CC)c1Br
InChIInChI=1S/C15H18BrN3O/c1-4-12-13(16)15(17-5-2)19-14(18-12)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyUGVQWSOLJAXYRU-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
5-bromo-2-(3,5-dimethylphenyl)-N,6-diethylpyrimidin-4-amine
CID 66295796
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine (CID 66299648) is 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine is CCNc1nc(-c2cccc(OC)c2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is UGVQWSOLJAXYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-4-12-13(16)15(17-5-2)19-14(18-12)10-7-6-8-11(9-10)20-3/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine?
5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66299648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).