5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one

C12H14N4O2 — CID 137016426

IUPAC5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCc2ncccc2C)nc[nH]c1=O
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-13-9(8)6-14-11-10(18-2)12(17)16-7-15-11/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyGAPPNICOFXODJZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds4

About 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016426) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016426
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCc2ncccc2C)nc[nH]c1=O
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-13-9(8)6-14-11-10(18-2)12(17)16-7-15-11/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyGAPPNICOFXODJZ-UHFFFAOYSA-N
XLogP1.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975684
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136999745
5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 136959376
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016144
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 137016426) is 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCc2ncccc2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GAPPNICOFXODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-4-3-5-13-9(8)6-14-11-10(18-2)12(17)16-7-15-11/h3-5,7H,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).