4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile

C16H18N4O — CID 80862922

IUPAC4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ncnc(N)c1C(C)C
InChIInChI=1S/C16H18N4O/c1-9(2)13-15(18)19-8-20-16(13)21-14-10(3)5-12(7-17)6-11(14)4/h5-6,8-9H,1-4H3,(H2,18,19,20)
InChIKeyMWMTVEHBCCWINT-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.46
Rot. Bonds3

About 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile (PubChem CID 80862922) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
PubChem CID80862922
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ncnc(N)c1C(C)C
InChIInChI=1S/C16H18N4O/c1-9(2)13-15(18)19-8-20-16(13)21-14-10(3)5-12(7-17)6-11(14)4/h5-6,8-9H,1-4H3,(H2,18,19,20)
InChIKeyMWMTVEHBCCWINT-UHFFFAOYSA-N
XLogP3.46
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737
4-[(6-amino-3,5-dichloro-2-pyridinyl)oxy]-3,5-dimethylbenzonitrile
CID 102760990
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
4-(6-fluoropyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 113305656
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
5-amino-6-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxylic acid
CID 81447521
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
[4-(4-cyano-2,6-dimethylphenoxy)-2-methylpyrimidin-5-yl] thiohypofluorite
CID 142095702
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80881778
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80868547

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile (CID 80862922) is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1Oc1ncnc(N)c1C(C)C.
What is the InChIKey of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
The InChIKey is MWMTVEHBCCWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9(2)13-15(18)19-8-20-16(13)21-14-10(3)5-12(7-17)6-11(14)4/h5-6,8-9H,1-4H3,(H2,18,19,20).
What are the key properties of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile?
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile has a molecular weight of 282.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile is sourced from PubChem (CID 80862922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).