5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione

C16H20N4O4 — CID 170510152

IUPAC5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCc3oc(C(C)C)nc3C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O4/c1-9(2)15-17-11-7-19(5-4-12(11)24-15)13(21)8-20-6-10(3)14(22)18-16(20)23/h6,9H,4-5,7-8H2,1-3H3,(H,18,22,23)
InChIKeyKZZPXZHZOSDBCN-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.54
Rot. Bonds3

About 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione

5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 170510152) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
PubChem CID170510152
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCc3oc(C(C)C)nc3C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N4O4/c1-9(2)15-17-11-7-19(5-4-12(11)24-15)13(21)8-20-6-10(3)14(22)18-16(20)23/h6,9H,4-5,7-8H2,1-3H3,(H,18,22,23)
InChIKeyKZZPXZHZOSDBCN-UHFFFAOYSA-N
XLogP0.54
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione (CID 170510152) is 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCc3oc(C(C)C)nc3C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is KZZPXZHZOSDBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9(2)15-17-11-7-19(5-4-12(11)24-15)13(21)8-20-6-10(3)14(22)18-16(20)23/h6,9H,4-5,7-8H2,1-3H3,(H,18,22,23).
What are the key properties of 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 170510152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).