4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136880704

IUPAC4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)C2CN)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-3-4-15(8(7)5-12)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyQVBZXOBBZDXIKG-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.05
Rot. Bonds3

About 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136880704) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136880704
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)C2CN)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-3-4-15(8(7)5-12)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16)
InChIKeyQVBZXOBBZDXIKG-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

5-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974114
4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
5-methoxy-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734038
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136780740

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136880704) is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C)C2CN)nc[nH]c1=O.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QVBZXOBBZDXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-3-4-15(8(7)5-12)10-9(17-2)11(16)14-6-13-10/h6-8H,3-5,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(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-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136880704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).