2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile

C15H16N4O — CID 80864396

IUPAC2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
SMILESCCNc1nc(C)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-3-17-15-18-11(2)10-14(19-15)20-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHODZWJFPYMVFNC-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile

2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile (PubChem CID 80864396) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
PubChem CID80864396
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
SMILESCCNc1nc(C)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-3-17-15-18-11(2)10-14(19-15)20-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyHODZWJFPYMVFNC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetonitrile
CID 80821858
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80965676
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile (CID 80864396) is 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile is CCNc1nc(C)cc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile?
The InChIKey is HODZWJFPYMVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-17-15-18-11(2)10-14(19-15)20-13-6-4-12(5-7-13)8-9-16/h4-7,10H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile?
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile is sourced from PubChem (CID 80864396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).