[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium

C18H17N4O5+ — CID 78353831

IUPAC[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium
SMILESCOc1cccc(-c2c(C#N)c(=[NH2+])oc3c2c(=O)n(C)c(=O)n3C)c1OC
InChIInChI=1S/C18H16N4O5/c1-21-16(23)13-12(9-6-5-7-11(25-3)14(9)26-4)10(8-19)15(20)27-17(13)22(2)18(21)24/h5-7,20H,1-4H3/p+1
InChIKeyAEEJVAIODDRTRI-UHFFFAOYSA-O
MW369.36 g/mol
LogP-0.95
Rot. Bonds3

About [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium

[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium (PubChem CID 78353831) has the molecular formula C18H17N4O5+ and a molecular weight of 369.36 g/mol. Its IUPAC name is [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium.

Molecular Properties

Compound Name[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium
PubChem CID78353831
Molecular FormulaC18H17N4O5+
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium
SMILESCOc1cccc(-c2c(C#N)c(=[NH2+])oc3c2c(=O)n(C)c(=O)n3C)c1OC
InChIInChI=1S/C18H16N4O5/c1-21-16(23)13-12(9-6-5-7-11(25-3)14(9)26-4)10(8-19)15(20)27-17(13)22(2)18(21)24/h5-7,20H,1-4H3/p+1
InChIKeyAEEJVAIODDRTRI-UHFFFAOYSA-O
XLogP-0.95
TPSA124.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 71945914
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482
2-amino-4-(2,3-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920236
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
2-amino-4-(2,3-dimethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4888646
5-(2-chlorophenyl)-6-(2-methoxyethylamino)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 71945911
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-methoxy-6-propan-2-ylbenzonitrile
CID 59589303
4-(2,4-dibromophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24573477
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077

Frequently Asked Questions

What is the IUPAC name of [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium?
The IUPAC name of [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium (CID 78353831) is [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium.
What is the SMILES notation for [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium?
The canonical SMILES for [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium is COc1cccc(-c2c(C#N)c(=[NH2+])oc3c2c(=O)n(C)c(=O)n3C)c1OC.
What is the InChIKey of [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium?
The InChIKey is AEEJVAIODDRTRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N4O5/c1-21-16(23)13-12(9-6-5-7-11(25-3)14(9)26-4)10(8-19)15(20)27-17(13)22(2)18(21)24/h5-7,20H,1-4H3/p+1.
What are the key properties of [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium?
[6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium has a molecular weight of 369.36 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyano-5-(2,3-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrano[2,3-d]pyrimidin-7-ylidene]azanium is sourced from PubChem (CID 78353831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).