4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

C8H13N3O2 — CID 105440514

IUPAC4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(4-9-2)11-8(5)13-3/h9H,4H2,1-3H3,(H,10,11,12)
InChIKeyNVTNTTGXBXDDIE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.19
Rot. Bonds3

About 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 105440514) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID105440514
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1nc(OC)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(4-9-2)11-8(5)13-3/h9H,4H2,1-3H3,(H,10,11,12)
InChIKeyNVTNTTGXBXDDIE-UHFFFAOYSA-N
XLogP-0.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 89301087
4-(ethylamino)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136081902
2-(Aminomethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553554
4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553742
2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554288
5-ethyl-4-hydroxy-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 63555698
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63555881
6-Hydroxy-5-methyl-2-[(methylamino)methyl]-3,4-dihydropyrimidin-4-one
CID 63556049
2-(ethylaminomethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63556232
2-[(dimethylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 79077481
2-(aminomethyl)-4-methoxy-1H-pyrimidin-6-one
CID 105430225

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (CID 105440514) is 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1nc(OC)c(C)c(=O)[nH]1.
What is the InChIKey of 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is NVTNTTGXBXDDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(12)10-6(4-9-2)11-8(5)13-3/h9H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105440514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).