2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 79077481

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CN(C)C)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-7(12)9-6(4-11(2)3)10-8(5)13/h4H2,1-3H3,(H2,9,10,12,13)
InChIKeyKPCGBYRPUXXGGP-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.15
Rot. Bonds2

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

2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 79077481) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID79077481
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CN(C)C)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-7(12)9-6(4-11(2)3)10-8(5)13/h4H2,1-3H3,(H2,9,10,12,13)
InChIKeyKPCGBYRPUXXGGP-UHFFFAOYSA-N
XLogP-0.15
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethylpyrimidine-4,6-diol
CID 237015
2-(ethylaminomethyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550920
5-Fluoro-6-hydroxy-2-[(methylamino)methyl]-3,4-dihydropyrimidin-4-one
CID 80550979
2-Isopropyl-5-methyl-4,6-pyrimidinediol
CID 10171269
2-ethyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 46734406
2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 67282495
(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium
CID 135965685
2,3-diethyl-6-hydroxy-5-methyl-4(3H)-pyrimidinone
CID 136023111
N-((4,6-dihydroxy-2-methylpyrimidin-5-yl)methylene)-N-methylmethanaminium chloride
CID 136385934
5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 150858519
2-Hydroxy-3-methyl-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
CID 164083080
8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 166885375

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 79077481) is 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(CN(C)C)[nH]c1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KPCGBYRPUXXGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(12)9-6(4-11(2)3)10-8(5)13/h4H2,1-3H3,(H2,9,10,12,13).
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79077481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).