4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C13H22N4O2 — CID 136733812

IUPAC4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2NCCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-13(2)5-4-6-14-9(13)7-15-11-10(19-3)12(18)17-8-16-11/h8-9,14H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWUDWGHSDGTUSBH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.97
Rot. Bonds4

About 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136733812) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136733812
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2NCCCC2(C)C)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-13(2)5-4-6-14-9(13)7-15-11-10(19-3)12(18)17-8-16-11/h8-9,14H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyWUDWGHSDGTUSBH-UHFFFAOYSA-N
XLogP0.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136742758
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805283
5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805293
4-[ethyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805302
5-methoxy-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805310
5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805317

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136733812) is 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2NCCCC2(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WUDWGHSDGTUSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2)5-4-6-14-9(13)7-15-11-10(19-3)12(18)17-8-16-11/h8-9,14H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136733812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).