4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

C10H16N4O — CID 136956162

IUPAC4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H16N4O/c1-14-3-2-8(6-14)5-11-9-4-10(15)13-7-12-9/h4,7-8H,2-3,5-6H2,1H3,(H2,11,12,13,15)
InChIKeyVTGCKPZEISJHCL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.13
Rot. Bonds3

About 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956162) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956162
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H16N4O/c1-14-3-2-8(6-14)5-11-9-4-10(15)13-7-12-9/h4,7-8H,2-3,5-6H2,1H3,(H2,11,12,13,15)
InChIKeyVTGCKPZEISJHCL-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136956162) is 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is CN1CCC(CNc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VTGCKPZEISJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-3-2-8(6-14)5-11-9-4-10(15)13-7-12-9/h4,7-8H,2-3,5-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).