5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine

C16H20BrN3O — CID 66307154

IUPAC5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cccc(OC)c2)nc(NCC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-7-13-14(17)16(18-5-2)20-15(19-13)11-8-6-9-12(10-11)21-3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyKBXJVFSXRBEXGU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.30
Rot. Bonds6

About 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine

5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine (PubChem CID 66307154) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
PubChem CID66307154
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cccc(OC)c2)nc(NCC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-4-7-13-14(17)16(18-5-2)20-15(19-13)11-8-6-9-12(10-11)21-3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20)
InChIKeyKBXJVFSXRBEXGU-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,6-diethyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66299648
5-bromo-2-(3-bromophenyl)-N,6-diethylpyrimidin-4-amine
CID 66299451
5-bromo-N,6-diethyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66299647
5-bromo-2-(3-chlorophenyl)-N,6-diethylpyrimidin-4-amine
CID 66300037
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
N-ethyl-5-iodo-2-(3-methoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66298381
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-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
2-(3-ethoxyphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299098
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine (CID 66307154) is 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2cccc(OC)c2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
The InChIKey is KBXJVFSXRBEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-7-13-14(17)16(18-5-2)20-15(19-13)11-8-6-9-12(10-11)21-3/h6,8-10H,4-5,7H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).