azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate

C19H20ClN5O6 — CID 44667031

IUPACazanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
SMILESCn1c([O-])c(C2c3cc(Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O.[NH4+]
InChIInChI=1S/C19H17ClN4O6.H3N/c1-21-14(25)12(15(26)22(2)18(21)28)11-9-7-8(20)5-6-10(9)30-17-13(11)16(27)23(3)19(29)24(17)4;/h5-7,11,25H,1-4H3;1H3
InChIKeyVIHZXEHMPCVHOA-UHFFFAOYSA-N
MW449.85 g/mol
LogP-0.13
Rot. Bonds1

About azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate

azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate (PubChem CID 44667031) has the molecular formula C19H20ClN5O6 and a molecular weight of 449.85 g/mol. Its IUPAC name is azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Nameazanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
PubChem CID44667031
Molecular FormulaC19H20ClN5O6
Molecular Weight449.85 g/mol
Exact Mass449.11
IUPAC Nameazanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
SMILESCn1c([O-])c(C2c3cc(Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O.[NH4+]
InChIInChI=1S/C19H17ClN4O6.H3N/c1-21-14(25)12(15(26)22(2)18(21)28)11-9-7-8(20)5-6-10(9)30-17-13(11)16(27)23(3)19(29)24(17)4;/h5-7,11,25H,1-4H3;1H3
InChIKeyVIHZXEHMPCVHOA-UHFFFAOYSA-N
XLogP-0.13
TPSA156.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.85
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate with MolForge

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Frequently Asked Questions

What is the IUPAC name of azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The IUPAC name of azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate (CID 44667031) is azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate is Cn1c([O-])c(C2c3cc(Cl)ccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O.[NH4+].
What is the InChIKey of azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The InChIKey is VIHZXEHMPCVHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O6.H3N/c1-21-14(25)12(15(26)22(2)18(21)28)11-9-7-8(20)5-6-10(9)30-17-13(11)16(27)23(3)19(29)24(17)4;/h5-7,11,25H,1-4H3;1H3.
What are the key properties of azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate has a molecular weight of 449.85 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 5-(7-chloro-1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 44667031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).