2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile

C19H16N4O2 — CID 146694832

IUPAC2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
SMILESCOc1ccc(Cc2nccc(-c3ccc(OC)c(C#N)c3)n2)nc1
InChIInChI=1S/C19H16N4O2/c1-24-16-5-4-15(22-12-16)10-19-21-8-7-17(23-19)13-3-6-18(25-2)14(9-13)11-20/h3-9,12H,10H2,1-2H3
InChIKeyQNXCWXFWJQSSDJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.02
Rot. Bonds5

About 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile

2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile (PubChem CID 146694832) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
PubChem CID146694832
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile
SMILESCOc1ccc(Cc2nccc(-c3ccc(OC)c(C#N)c3)n2)nc1
InChIInChI=1S/C19H16N4O2/c1-24-16-5-4-15(22-12-16)10-19-21-8-7-17(23-19)13-3-6-18(25-2)14(9-13)11-20/h3-9,12H,10H2,1-2H3
InChIKeyQNXCWXFWJQSSDJ-UHFFFAOYSA-N
XLogP3.02
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[(3-amino-5-methoxyphenyl)methyl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 148647912
2-methoxy-5-[2-[[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrimidin-4-yl]benzonitrile
CID 157452609
2-methoxy-5-[2-[[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]benzonitrile
CID 153135904
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2-[(4-methoxyphenyl)methoxy]-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]benzonitrile
CID 157485501
N-(2-aminoethyl)-4-[[4-(3-cyano-4-methoxyphenyl)pyrimidin-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 160790571
2-[4-[[4-(3-cyano-4-methoxyphenyl)pyrimidin-2-yl]methyl]-2-methoxy-N-methylanilino]-N,N-dimethylacetamide
CID 158363317
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
1-[4-[[4-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidin-2-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 162152538
5-[2-[[3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]methyl]pyrimidin-4-yl]-2-methoxybenzonitrile
CID 161067864
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
5-[2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]-2-methoxybenzonitrile
CID 173047408

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile (CID 146694832) is 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile is COc1ccc(Cc2nccc(-c3ccc(OC)c(C#N)c3)n2)nc1.
What is the InChIKey of 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile?
The InChIKey is QNXCWXFWJQSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-16-5-4-15(22-12-16)10-19-21-8-7-17(23-19)13-3-6-18(25-2)14(9-13)11-20/h3-9,12H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile?
2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[(5-methoxy-2-pyridinyl)methyl]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 146694832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).