5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile

C19H17N5O2 — CID 59184754

IUPAC5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile
SMILESCOc1nc(OC)c(C(C)C)c(C(C#N)c2cc(C#N)cc(C#N)c2)n1
InChIInChI=1S/C19H17N5O2/c1-11(2)16-17(23-19(26-4)24-18(16)25-3)15(10-22)14-6-12(8-20)5-13(7-14)9-21/h5-7,11,15H,1-4H3
InChIKeyFMHZYAJODJADHC-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.02
Rot. Bonds5

About 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile

5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile (PubChem CID 59184754) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile
PubChem CID59184754
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile
SMILESCOc1nc(OC)c(C(C)C)c(C(C#N)c2cc(C#N)cc(C#N)c2)n1
InChIInChI=1S/C19H17N5O2/c1-11(2)16-17(23-19(26-4)24-18(16)25-3)15(10-22)14-6-12(8-20)5-13(7-14)9-21/h5-7,11,15H,1-4H3
InChIKeyFMHZYAJODJADHC-UHFFFAOYSA-N
XLogP3.02
TPSA115.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
4-Ethoxy-2,6-diphenylpyrimidine-5-carbonitrile
CID 85988183
4-Methoxy-6-phenyl-2-pyrimidinamine
CID 676910
3-(2,6-Dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 16732731
2-Amino-4,6-bis(4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 102495967
A1AR antagonist 1
CID 163196347
2-Amino-4-(2-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 166629618
Methyl 5-methyl-2,6-diphenylpyrimidin-4-yl ether
CID 817561
2,4-Dimethoxy-6-methyl-5-phenylpyrimidine
CID 16732730
2-Cyclohexylsulfanyl-4-methoxy-5-methyl-6-(m-tolylmethyl)pyrimidine
CID 465887
2,4-Diisobutoxy-6-phenethyl-pyrimidine
CID 25132937
4-(2-Ethylphenyl)-6-methoxypyrimidin-2-amine
CID 39834396

Frequently Asked Questions

What is the IUPAC name of 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile (CID 59184754) is 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile is COc1nc(OC)c(C(C)C)c(C(C#N)c2cc(C#N)cc(C#N)c2)n1.
What is the InChIKey of 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile?
The InChIKey is FMHZYAJODJADHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11(2)16-17(23-19(26-4)24-18(16)25-3)15(10-22)14-6-12(8-20)5-13(7-14)9-21/h5-7,11,15H,1-4H3.
What are the key properties of 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile?
5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile has a molecular weight of 347.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyano-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)methyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 59184754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).