4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136954394

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(CN)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(5-12)3-4-15(6-11)9-8(17-2)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyUOYVEYQQNRFTFE-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.05
Rot. Bonds3

About 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136954394) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136954394
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(CN)C2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(5-12)3-4-15(6-11)9-8(17-2)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16)
InChIKeyUOYVEYQQNRFTFE-UHFFFAOYSA-N
XLogP-0.05
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137005106
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137016045
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136972830
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979735
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
5-methoxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 137009772
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136954394) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C)(CN)C2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is UOYVEYQQNRFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(5-12)3-4-15(6-11)9-8(17-2)10(16)14-7-13-9/h7H,3-6,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).