4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile

C14H14N4O — CID 80869737

IUPAC4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCC(C)c1c(N)ncnc1Oc1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-9(2)12-13(16)17-8-18-14(12)19-11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H2,16,17,18)
InChIKeyXEXJVTGYHSPHKE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.85
Rot. Bonds3

About 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile

4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80869737) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80869737
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCC(C)c1c(N)ncnc1Oc1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-9(2)12-13(16)17-8-18-14(12)19-11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H2,16,17,18)
InChIKeyXEXJVTGYHSPHKE-UHFFFAOYSA-N
XLogP2.85
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 80862922
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzamide
CID 80882078
6-(3-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80880750
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
6-(3-nitrophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80871465
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80881778

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile (CID 80869737) is 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile is CC(C)c1c(N)ncnc1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is XEXJVTGYHSPHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9(2)12-13(16)17-8-18-14(12)19-11-5-3-10(7-15)4-6-11/h3-6,8-9H,1-2H3,(H2,16,17,18).
What are the key properties of 4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile?
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.85, 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)oxybenzonitrile is sourced from PubChem (CID 80869737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).