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

C12H20N4O2 — CID 136805327

IUPAC5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16(7-9-4-3-5-13-6-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyOPGJEQBUTBUPDK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.21
Rot. Bonds4

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

5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805327) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805327
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(N(C)CC2CCCNC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-16(7-9-4-3-5-13-6-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyOPGJEQBUTBUPDK-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978133
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
CID 136978148
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
4,6-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106642807
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
5-methoxy-4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136977630
4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957719
5-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805327) is 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is COc1c(N(C)CC2CCCNC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OPGJEQBUTBUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(7-9-4-3-5-13-6-9)11-10(18-2)12(17)15-8-14-11/h8-9,13H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of 5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.21, 4 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-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).