4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C10H15N3O3 — CID 136869194

IUPAC4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(15)3-4-13(5-10)8-7(16-2)9(14)12-6-11-8/h6,15H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNSGSCMIFMLFMHD-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.26
Rot. Bonds2

About 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136869194) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136869194
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(15)3-4-13(5-10)8-7(16-2)9(14)12-6-11-8/h6,15H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNSGSCMIFMLFMHD-UHFFFAOYSA-N
XLogP-0.26
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxyoxolan-3-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136675564
5-methoxy-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706904
4-(3,4-dihydroxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136766526
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136857367
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136869196
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136869197
5-methoxy-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136876800
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136900940
4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136900949
4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136918145
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136954394

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136869194) is 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C)(O)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NSGSCMIFMLFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(15)3-4-13(5-10)8-7(16-2)9(14)12-6-11-8/h6,15H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136869194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).