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

C15H16N4O — CID 80950425

IUPAC2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCCCc1nc(N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-2-3-14-18-13(17)10-15(19-14)20-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyODOSKAQLCLCLPV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.87
Rot. Bonds5

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

2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile (PubChem CID 80950425) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
PubChem CID80950425
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
SMILESCCCc1nc(N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H16N4O/c1-2-3-14-18-13(17)10-15(19-14)20-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyODOSKAQLCLCLPV-UHFFFAOYSA-N
XLogP2.87
TPSA84.82 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 ≤ 52.87
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]acetonitrile
CID 80965676
6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
6-(1-propan-2-ylpyrazol-4-yl)oxy-2-propylpyrimidin-4-amine
CID 116806487
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-(2,4-dichlorophenoxy)-2-propylpyrimidin-4-amine
CID 80950356
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
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-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The IUPAC name of 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile (CID 80950425) is 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile.
What is the SMILES notation for 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The canonical SMILES for 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile is CCCc1nc(N)cc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
The InChIKey is ODOSKAQLCLCLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-3-14-18-13(17)10-15(19-14)20-12-6-4-11(5-7-12)8-9-16/h4-7,10H,2-3,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile?
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.87, 5 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-propylpyrimidin-4-yl)oxyphenyl]acetonitrile is sourced from PubChem (CID 80950425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).