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

C10H16N4O — CID 115114233

IUPAC5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(=O)c(CN)c2)C1
InChIInChI=1S/C10H16N4O/c1-13-3-2-9(6-13)14-5-8(4-11)10(15)12-7-14/h5,7,9H,2-4,6,11H2,1H3
InChIKeyATSCWJOZQDGPCS-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.42
Rot. Bonds2

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

5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 115114233) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
PubChem CID115114233
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(=O)c(CN)c2)C1
InChIInChI=1S/C10H16N4O/c1-13-3-2-9(6-13)14-5-8(4-11)10(15)12-7-14/h5,7,9H,2-4,6,11H2,1H3
InChIKeyATSCWJOZQDGPCS-UHFFFAOYSA-N
XLogP-0.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Aminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83873643
5-(Aminomethyl)-1-pyrrolidin-3-ylpyrimidin-4-one
CID 115114232
5-Amino-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
CID 115114237
5-(Aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 115114245
5-(Aminomethyl)-1-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 115114256
5-(Aminomethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-4-one
CID 115114257
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-(Aminomethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 115114317
5-(Aminomethyl)-1-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
CID 115114329
5-(Aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 115114545

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one (CID 115114233) is 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one is CN1CCC(n2cnc(=O)c(CN)c2)C1.
What is the InChIKey of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is ATSCWJOZQDGPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-3-2-9(6-13)14-5-8(4-11)10(15)12-7-14/h5,7,9H,2-4,6,11H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one?
5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.42, 2 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)pyrimidin-4-one is sourced from PubChem (CID 115114233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).