4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one

C10H15N3O — CID 130485245

IUPAC4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESCc1ccn(C[C@@H]2CCCN2)c(=O)n1
InChIInChI=1S/C10H15N3O/c1-8-4-6-13(10(14)12-8)7-9-3-2-5-11-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyKRBMIQJROJPBPV-VIFPVBQESA-N
MW193.25 g/mol
LogP0.30
Rot. Bonds2

About 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one

4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one (PubChem CID 130485245) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
PubChem CID130485245
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESCc1ccn(C[C@@H]2CCCN2)c(=O)n1
InChIInChI=1S/C10H15N3O/c1-8-4-6-13(10(14)12-8)7-9-3-2-5-11-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m0/s1
InChIKeyKRBMIQJROJPBPV-VIFPVBQESA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrrolidin-2-ylmethyl)pyrimidin-2-one
CID 61686232
1-Isopropyl-4-(pyrrolidin-3-yl)pyrimidin-2(1h)-one hydrochloride
CID 121271031
1-Propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
CID 121271032
4,6-Dimethyl-1-(pyrrolidin-2-ylmethyl)pyrimidin-2-one
CID 61686231
4,6-Dimethyl-1-pyrrolidin-3-ylpyrimidin-2-one
CID 82105268
4-Methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 83669027
4,6-dimethyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 93958154
4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 93958155
1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 93990906
1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 93990907
N-cyclopentyl-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230936
4-Methyl-1-[4-(propylamino)pentyl]pyrimidin-2-one
CID 114217379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The IUPAC name of 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one (CID 130485245) is 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one is Cc1ccn(C[C@@H]2CCCN2)c(=O)n1.
What is the InChIKey of 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
The InChIKey is KRBMIQJROJPBPV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-4-6-13(10(14)12-8)7-9-3-2-5-11-9/h4,6,9,11H,2-3,5,7H2,1H3/t9-/m0/s1.
What are the key properties of 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one?
4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 130485245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).