1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C13H20N4O3 — CID 66051607

IUPAC1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H20N4O3/c1-15(2)7-10-6-11(18)8-17(10)12(19)9-16-5-3-4-14-13(16)20/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyWLRMUNIOCBYMPQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.23
Rot. Bonds4

About 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 66051607) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID66051607
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C13H20N4O3/c1-15(2)7-10-6-11(18)8-17(10)12(19)9-16-5-3-4-14-13(16)20/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyWLRMUNIOCBYMPQ-UHFFFAOYSA-N
XLogP-1.23
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 66051607) is 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is CN(C)CC1CC(O)CN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is WLRMUNIOCBYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-15(2)7-10-6-11(18)8-17(10)12(19)9-16-5-3-4-14-13(16)20/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 280.33 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 66051607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).