6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine

C16H20BrN3O — CID 106192754

IUPAC6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Br)cc(NCc2cccc(OCC)c2)n1
InChIInChI=1S/C16H20BrN3O/c1-3-6-15-19-14(17)10-16(20-15)18-11-12-7-5-8-13(9-12)21-4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,18,19,20)
InChIKeyLBMWQEWRAVPTQI-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.20
Rot. Bonds7

About 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine

6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 106192754) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
PubChem CID106192754
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Br)cc(NCc2cccc(OCC)c2)n1
InChIInChI=1S/C16H20BrN3O/c1-3-6-15-19-14(17)10-16(20-15)18-11-12-7-5-8-13(9-12)21-4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,18,19,20)
InChIKeyLBMWQEWRAVPTQI-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(3-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194863
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
6-N-[(3-ethoxyphenyl)methyl]pyridine-2,6-diamine
CID 80647155
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
N-[(3-ethoxyphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61241131
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
6-bromo-N-[(2-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194622
N-[(4-fluorophenyl)methyl]-6-methoxy-2-propylpyrimidin-4-amine
CID 82453845
5-[(3-ethoxyphenyl)methylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 132587943
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine (CID 106192754) is 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Br)cc(NCc2cccc(OCC)c2)n1.
What is the InChIKey of 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is LBMWQEWRAVPTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-6-15-19-14(17)10-16(20-15)18-11-12-7-5-8-13(9-12)21-4-2/h5,7-10H,3-4,6,11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine?
6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-ethoxyphenyl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106192754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).