6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H16N4O3 — CID 63264440

IUPAC6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H16N4O3/c1-12-5-7-2-3-15(6-7)10(17)8-4-9(16)14-11(18)13-8/h4,7,12H,2-3,5-6H2,1H3,(H2,13,14,16,18)
InChIKeyHGNAOJYSFYSJAY-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.26
Rot. Bonds3

About 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 63264440) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID63264440
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCNCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H16N4O3/c1-12-5-7-2-3-15(6-7)10(17)8-4-9(16)14-11(18)13-8/h4,7,12H,2-3,5-6H2,1H3,(H2,13,14,16,18)
InChIKeyHGNAOJYSFYSJAY-UHFFFAOYSA-N
XLogP-1.26
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 63264440) is 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CNCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HGNAOJYSFYSJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-5-7-2-3-15(6-7)10(17)8-4-9(16)14-11(18)13-8/h4,7,12H,2-3,5-6H2,1H3,(H2,13,14,16,18).
What are the key properties of 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 63264440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).