1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H18N4O3 — CID 136876814

IUPAC1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H18N4O3/c1-12(11(18)13-2)4-5-16(6-12)9-8(19-3)10(17)15-7-14-9/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyIWFRDUIHWFXCPU-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.26
Rot. Bonds3

About 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 136876814) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID136876814
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C12H18N4O3/c1-12(11(18)13-2)4-5-16(6-12)9-8(19-3)10(17)15-7-14-9/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyIWFRDUIHWFXCPU-UHFFFAOYSA-N
XLogP-0.26
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 136876814) is 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is IWFRDUIHWFXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(11(18)13-2)4-5-16(6-12)9-8(19-3)10(17)15-7-14-9/h7H,4-6H2,1-3H3,(H,13,18)(H,14,15,17).
What are the key properties of 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136876814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).