3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile

C15H16N4O — CID 80863215

IUPAC3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
SMILESCCCc1c(NC)ncnc1Oc1cccc(C#N)c1
InChIInChI=1S/C15H16N4O/c1-3-5-13-14(17-2)18-10-19-15(13)20-12-7-4-6-11(8-12)9-16/h4,6-8,10H,3,5H2,1-2H3,(H,17,18,19)
InChIKeyNTHKNNUWQKXJLQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds5

About 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile

3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile (PubChem CID 80863215) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
PubChem CID80863215
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
SMILESCCCc1c(NC)ncnc1Oc1cccc(C#N)c1
InChIInChI=1S/C15H16N4O/c1-3-5-13-14(17-2)18-10-19-15(13)20-12-7-4-6-11(8-12)9-16/h4,6-8,10H,3,5H2,1-2H3,(H,17,18,19)
InChIKeyNTHKNNUWQKXJLQ-UHFFFAOYSA-N
XLogP3.13
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
6-(4-iodophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80881783
6-(4-chlorophenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80863976
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
5-ethyl-N-methyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880121
6-(2-bromo-4-methylphenoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 80860005
3-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxybenzonitrile
CID 80988952
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80911185
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931

Frequently Asked Questions

What is the IUPAC name of 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile (CID 80863215) is 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile is CCCc1c(NC)ncnc1Oc1cccc(C#N)c1.
What is the InChIKey of 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile?
The InChIKey is NTHKNNUWQKXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-5-13-14(17-2)18-10-19-15(13)20-12-7-4-6-11(8-12)9-16/h4,6-8,10H,3,5H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile?
3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80863215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).