5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one

C11H18N4O — CID 115114317

IUPAC5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC1Cn1cnc(=O)c(CN)c1
InChIInChI=1S/C11H18N4O/c1-14-4-2-3-10(14)7-15-6-9(5-12)11(16)13-8-15/h6,8,10H,2-5,7,12H2,1H3
InChIKeyFNOJIIDKFQSQPB-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.20
Rot. Bonds3

About 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one

5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 115114317) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
PubChem CID115114317
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCC1Cn1cnc(=O)c(CN)c1
InChIInChI=1S/C11H18N4O/c1-14-4-2-3-10(14)7-15-6-9(5-12)11(16)13-8-15/h6,8,10H,2-5,7,12H2,1H3
InChIKeyFNOJIIDKFQSQPB-UHFFFAOYSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Aminomethyl)-1-pyrrolidin-3-ylpyrimidin-4-one
CID 115114232
5-(Aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
CID 115114233
5-(Aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 115114245
5-(Aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 115114257
5-(Aminomethyl)-1-piperidin-3-ylpyrimidin-4-one
CID 115114280
5-(Aminomethyl)-1-(1-methylpiperidin-3-yl)pyrimidin-4-one
CID 115114281
5-(Aminomethyl)-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
CID 115114293
5-(Aminomethyl)-1-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 115114316
5-Amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 115114321
5-(Aminomethyl)-1-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 115114328
5-(Aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
CID 115114329
5-(Aminomethyl)-1-cyclopentylpyrimidin-4-one
CID 115114539

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one (CID 115114317) is 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one is CN1CCCC1Cn1cnc(=O)c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is FNOJIIDKFQSQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-4-2-3-10(14)7-15-6-9(5-12)11(16)13-8-15/h6,8,10H,2-5,7,12H2,1H3.
What are the key properties of 5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one?
5-(aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.20, 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-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).