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

C10H15N3O2 — CID 115026335

IUPAC3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC2CCNC2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-9(14)8(6-12-10(13)15)4-7-2-3-11-5-7/h6-7,11H,2-5H2,1H3,(H,12,15)
InChIKeyWFITUGQMJZGLFC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.77
Rot. Bonds2

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

3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 115026335) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID115026335
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC2CCNC2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-9(14)8(6-12-10(13)15)4-7-2-3-11-5-7/h6-7,11H,2-5H2,1H3,(H,12,15)
InChIKeyWFITUGQMJZGLFC-UHFFFAOYSA-N
XLogP-0.77
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione (CID 115026335) is 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC2CCNC2)c1=O.
What is the InChIKey of 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WFITUGQMJZGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-9(14)8(6-12-10(13)15)4-7-2-3-11-5-7/h6-7,11H,2-5H2,1H3,(H,12,15).
What are the key properties of 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 115026335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).