azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C21H23Cl2N5O6 — CID 131666888

IUPACazane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(O)c(C2c3cc(Cl)cc(Cl)c3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O.N
InChIInChI=1S/C21H20Cl2N4O6.H3N/c1-7(2)26-18(29)13(16(28)24-20(26)31)12-10-5-9(22)6-11(23)15(10)33-17-14(12)19(30)27(8(3)4)21(32)25-17;/h5-8,12,29H,1-4H3,(H,25,32)(H,24,28,31);1H3
InChIKeyJGVCCZCDNDOXHG-UHFFFAOYSA-N
MW512.35 g/mol
LogP3.01
Rot. Bonds3

About azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 131666888) has the molecular formula C21H23Cl2N5O6 and a molecular weight of 512.35 g/mol. Its IUPAC name is azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Nameazane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID131666888
Molecular FormulaC21H23Cl2N5O6
Molecular Weight512.35 g/mol
Exact Mass511.10
IUPAC Nameazane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(O)c(C2c3cc(Cl)cc(Cl)c3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O.N
InChIInChI=1S/C21H20Cl2N4O6.H3N/c1-7(2)26-18(29)13(16(28)24-20(26)31)12-10-5-9(22)6-11(23)15(10)33-17-14(12)19(30)27(8(3)4)21(32)25-17;/h5-8,12,29H,1-4H3,(H,25,32)(H,24,28,31);1H3
InChIKeyJGVCCZCDNDOXHG-UHFFFAOYSA-N
XLogP3.01
TPSA174.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.35
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 131666888) is azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is CC(C)n1c(O)c(C2c3cc(Cl)cc(Cl)c3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O.N.
What is the InChIKey of azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JGVCCZCDNDOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O6.H3N/c1-7(2)26-18(29)13(16(28)24-20(26)31)12-10-5-9(22)6-11(23)15(10)33-17-14(12)19(30)27(8(3)4)21(32)25-17;/h5-8,12,29H,1-4H3,(H,25,32)(H,24,28,31);1H3.
What are the key properties of azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?
azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 512.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7,9-dichloro-5-(6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)-3-propan-2-yl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 131666888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).