4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H20N4O3 — CID 136979766

IUPAC4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)CC2CN(C)C)nc[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-15(2)5-8-4-9(17)6-16(8)11-10(19-3)12(18)14-7-13-11/h7-9,17H,4-6H2,1-3H3,(H,13,14,18)
InChIKeyVUXFVUQYZCVAQT-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.72
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979766) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979766
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)CC2CN(C)C)nc[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-15(2)5-8-4-9(17)6-16(8)11-10(19-3)12(18)14-7-13-11/h7-9,17H,4-6H2,1-3H3,(H,13,14,18)
InChIKeyVUXFVUQYZCVAQT-UHFFFAOYSA-N
XLogP-0.72
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781025
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781034
5-methoxy-4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136900910
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136900940

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979766) is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(O)CC2CN(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is VUXFVUQYZCVAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15(2)5-8-4-9(17)6-16(8)11-10(19-3)12(18)14-7-13-11/h7-9,17H,4-6H2,1-3H3,(H,13,14,18).
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 268.32 g/mol, XLogP of -0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).