4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile

C16H18N4O — CID 80944234

IUPAC4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
SMILESCCCc1nc(NCC)cc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N4O/c1-3-5-14-19-15(18-4-2)10-16(20-14)21-13-8-6-12(11-17)7-9-13/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyCVGRANMTXSRKPY-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.52
Rot. Bonds6

About 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile

4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile (PubChem CID 80944234) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
PubChem CID80944234
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
SMILESCCCc1nc(NCC)cc(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N4O/c1-3-5-14-19-15(18-4-2)10-16(20-14)21-13-8-6-12(11-17)7-9-13/h6-10H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyCVGRANMTXSRKPY-UHFFFAOYSA-N
XLogP3.52
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920
[6-(4-bromophenoxy)-2-propylpyrimidin-4-yl]hydrazine
CID 80947208
N-ethyl-6-(2-methoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80944699
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
6-(2-chloro-5-methylphenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80942643
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile (CID 80944234) is 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile is CCCc1nc(NCC)cc(Oc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile?
The InChIKey is CVGRANMTXSRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-5-14-19-15(18-4-2)10-16(20-14)21-13-8-6-12(11-17)7-9-13/h6-10H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile?
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80944234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).