2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile

C15H16N4O — CID 80965676

IUPAC2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCC(C)c1nc(N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-10(2)15-18-13(17)9-14(19-15)20-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7H2,1-2H3,(H2,17,18,19)
InChIKeyVKFCPEWUHLUSHI-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile

2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile (PubChem CID 80965676) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
PubChem CID80965676
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCC(C)c1nc(N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-10(2)15-18-13(17)9-14(19-15)20-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7H2,1-2H3,(H2,17,18,19)
InChIKeyVKFCPEWUHLUSHI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710217
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
3-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80965673
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
6-[3-(dimethylamino)phenoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80962777
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80966111
2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80963733
2-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 114562023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile (CID 80965676) is 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile is CC(C)c1nc(N)cc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The InChIKey is VKFCPEWUHLUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(2)15-18-13(17)9-14(19-15)20-12-5-3-11(4-6-12)7-8-16/h3-6,9-10H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile?
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile is sourced from PubChem (CID 80965676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).