1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione

C11H17N3O2 — CID 115033943

IUPAC1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(CC2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-13-7-9(5-8-3-4-12-6-8)10(15)14(2)11(13)16/h7-8,12H,3-6H2,1-2H3
InChIKeyCLWPZCNCNARBAT-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.76
Rot. Bonds2

About 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 115033943) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID115033943
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(CC2CCNC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-13-7-9(5-8-3-4-12-6-8)10(15)14(2)11(13)16/h7-8,12H,3-6H2,1-2H3
InChIKeyCLWPZCNCNARBAT-UHFFFAOYSA-N
XLogP-0.76
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione (CID 115033943) is 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione is Cn1cc(CC2CCNC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is CLWPZCNCNARBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-7-9(5-8-3-4-12-6-8)10(15)14(2)11(13)16/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of -0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115033943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).