5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136978133

IUPAC5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)C2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-15(8-4-3-5-12-6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyRKHRKLOGWHAXMB-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds3

About 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136978133) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136978133
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)C2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-15(8-4-3-5-12-6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyRKHRKLOGWHAXMB-UHFFFAOYSA-N
XLogP-0.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
5-chloro-4-[cycloheptyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970851
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
CID 63644296
8-methoxy-N,7-dimethyl-N-[(3R)-pyrrolidin-3-yl]quinazolin-4-amine
CID 149332703
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136978133) is 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is COc1c(N(C)C2CCCNC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is RKHRKLOGWHAXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(8-4-3-5-12-6-8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).