2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile

C14H14N4O — CID 80862938

IUPAC2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C14H14N4O/c1-2-7-16-13-8-14(18-10-17-13)19-12-6-4-3-5-11(12)9-15/h3-6,8,10H,2,7H2,1H3,(H,16,17,18)
InChIKeyYITYOMSXBKTOCF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.96
Rot. Bonds5

About 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile

2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80862938) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80862938
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCCNc1cc(Oc2ccccc2C#N)ncn1
InChIInChI=1S/C14H14N4O/c1-2-7-16-13-8-14(18-10-17-13)19-12-6-4-3-5-11(12)9-15/h3-6,8,10H,2,7H2,1H3,(H,16,17,18)
InChIKeyYITYOMSXBKTOCF-UHFFFAOYSA-N
XLogP2.96
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863385
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
N-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874681
3,5-dimethyl-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863050
6-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
CID 11187557
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
2-[6-[2-[(E)-1-methoxy-3-methylperoxyprop-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 59970168
2-[6-[2-(3-methoxy-1-oxobut-1-en-2-yl)phenoxy]pyrimidin-4-yl]oxybenzonitrile
CID 91278250

Frequently Asked Questions

What is the IUPAC name of 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80862938) is 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile is CCCNc1cc(Oc2ccccc2C#N)ncn1.
What is the InChIKey of 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is YITYOMSXBKTOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-7-16-13-8-14(18-10-17-13)19-12-6-4-3-5-11(12)9-15/h3-6,8,10H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile?
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80862938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).