5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one

C11H18N4O — CID 115114257

IUPAC5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(Cn2cnc(=O)c(CN)c2)C1
InChIInChI=1S/C11H18N4O/c1-14-3-2-9(5-14)6-15-7-10(4-12)11(16)13-8-15/h7-9H,2-6,12H2,1H3
InChIKeyWHEPDFVFELQVRX-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.35
Rot. Bonds3

About 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one

5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one (PubChem CID 115114257) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one
PubChem CID115114257
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(Cn2cnc(=O)c(CN)c2)C1
InChIInChI=1S/C11H18N4O/c1-14-3-2-9(5-14)6-15-7-10(4-12)11(16)13-8-15/h7-9H,2-6,12H2,1H3
InChIKeyWHEPDFVFELQVRX-UHFFFAOYSA-N
XLogP-0.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one (CID 115114257) is 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one is CN1CCC(Cn2cnc(=O)c(CN)c2)C1.
What is the InChIKey of 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one?
The InChIKey is WHEPDFVFELQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-3-2-9(5-14)6-15-7-10(4-12)11(16)13-8-15/h7-9H,2-6,12H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one?
5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).