6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine

C16H21N3O — CID 80950205

IUPAC6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cccc(CC)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-7-14-18-15(17-3)11-16(19-14)20-13-9-6-8-12(5-2)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyIQZWFOLAYUUUIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.83
Rot. Bonds6

About 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine

6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80950205) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80950205
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Oc2cccc(CC)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-7-14-18-15(17-3)11-16(19-14)20-13-9-6-8-12(5-2)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19)
InChIKeyIQZWFOLAYUUUIY-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
[6-(3-methylphenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947768
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
6-[(5-chloro-3-pyridinyl)oxy]-N-methyl-2-propylpyrimidin-4-amine
CID 80950367
6-(2-bromo-4-methoxyphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 104708809
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-propylpyrimidin-4-amine
CID 80950560

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine (CID 80950205) is 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Oc2cccc(CC)c2)n1.
What is the InChIKey of 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is IQZWFOLAYUUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-7-14-18-15(17-3)11-16(19-14)20-13-9-6-8-12(5-2)10-13/h6,8-11H,4-5,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine?
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).