3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile

C15H16N4O — CID 107662566

IUPAC3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCCc1nc(N)cc(Oc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H16N4O/c1-3-4-14-18-13(17)8-15(19-14)20-12-7-11(9-16)6-5-10(12)2/h5-8H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyOJOALBWNRUUEAR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds4

About 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile

3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile (PubChem CID 107662566) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
PubChem CID107662566
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCCc1nc(N)cc(Oc2cc(C#N)ccc2C)n1
InChIInChI=1S/C15H16N4O/c1-3-4-14-18-13(17)8-15(19-14)20-12-7-11(9-16)6-5-10(12)2/h5-8H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyOJOALBWNRUUEAR-UHFFFAOYSA-N
XLogP2.98
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669716
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
4-[6-amino-2-(methoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669821
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
6-(4-bromo-2-chlorophenoxy)-2-propylpyrimidin-4-amine
CID 80949627
6-(2-bromo-4-fluorophenoxy)-2-propylpyrimidin-4-amine
CID 80949844
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
3-(2-amino-3-propoxyphenoxy)-4-methylbenzonitrile
CID 107655206
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107655267

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile (CID 107662566) is 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile is CCCc1nc(N)cc(Oc2cc(C#N)ccc2C)n1.
What is the InChIKey of 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The InChIKey is OJOALBWNRUUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-4-14-18-13(17)8-15(19-14)20-12-7-11(9-16)6-5-10(12)2/h5-8H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107662566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).