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

C11H17N3O2 — CID 15060331

IUPAC1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(CN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-12-7-9(8-14-5-3-4-6-14)10(15)13(2)11(12)16/h7H,3-6,8H2,1-2H3
InChIKeyJXZXXASXOMGKAF-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.32
Rot. Bonds2

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

1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione (PubChem CID 15060331) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
PubChem CID15060331
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione
SMILESCn1cc(CN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-12-7-9(8-14-5-3-4-6-14)10(15)13(2)11(12)16/h7H,3-6,8H2,1-2H3
InChIKeyJXZXXASXOMGKAF-UHFFFAOYSA-N
XLogP-0.32
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione (CID 15060331) is 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione is Cn1cc(CN2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is JXZXXASXOMGKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-7-9(8-14-5-3-4-6-14)10(15)13(2)11(12)16/h7H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15060331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).