5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

C12H20N4O2 — CID 136975085

IUPAC5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16-6-4-3-5-9(16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyAGCQARASOVDAHU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.67
Rot. Bonds4

About 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136975085) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136975085
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCCN2C)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16-6-4-3-5-9(16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyAGCQARASOVDAHU-UHFFFAOYSA-N
XLogP0.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975083
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136989825
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007961
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136974402
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
6-amino-7-[(1-methylpyrrolidin-2-yl)methylamino]-3H-quinazolin-4-one
CID 136731490
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784778

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136975085) is 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2CCCCN2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is AGCQARASOVDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-6-4-3-5-9(16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9H,3-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).