1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide

C10H15N3O3 — CID 2227167

IUPAC1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15)
InChIKeyJXRZMXOIMFURIJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.78
Rot. Bonds2

About 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide

1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 2227167) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID2227167
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15)
InChIKeyJXRZMXOIMFURIJ-UHFFFAOYSA-N
XLogP-0.78
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide (CID 2227167) is 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JXRZMXOIMFURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)11-9(15)7-5-8(14)13(4)10(16)12(7)3/h5-6H,1-4H3,(H,11,15).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide?
1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 2227167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).