6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one

C10H16N4O — CID 83864248

IUPAC6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one
SMILESCNCc1cc(N2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyHPNSKCNOROHXGJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.09
Rot. Bonds3

About 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one

6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one (PubChem CID 83864248) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one
PubChem CID83864248
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one
SMILESCNCc1cc(N2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyHPNSKCNOROHXGJ-UHFFFAOYSA-N
XLogP0.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one?
The IUPAC name of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one (CID 83864248) is 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one is CNCc1cc(N2CCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one?
The InChIKey is HPNSKCNOROHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-7-8-6-9(13-10(15)12-8)14-4-2-3-5-14/h6,11H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one?
6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 83864248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).