5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

C13H16N4O2 — CID 137009050

IUPAC5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCc2ccccn2)nc[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-17(8-6-10-5-3-4-7-14-10)12-11(19-2)13(18)16-9-15-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16,18)
InChIKeyIAHZGODQGCZMFQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.85
Rot. Bonds5

About 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009050) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
PubChem CID137009050
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CCc2ccccn2)nc[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-17(8-6-10-5-3-4-7-14-10)12-11(19-2)13(18)16-9-15-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16,18)
InChIKeyIAHZGODQGCZMFQ-UHFFFAOYSA-N
XLogP0.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)phenyl]methyl-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972734
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015587
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
5-methoxy-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136692811
3-(N-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)anilino)propanethioamide
CID 136973109
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
N-methyl-2-pyridin-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 662771
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
3-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]methyl]benzenecarbothioamide
CID 136973178

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one (CID 137009050) is 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is COc1c(N(C)CCc2ccccn2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IAHZGODQGCZMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(8-6-10-5-3-4-7-14-10)12-11(19-2)13(18)16-9-15-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[methyl(2-pyridin-2-ylethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).