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

C13H22N4O2 — CID 136912700

IUPAC4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCN(C)CC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-13(4-6-17(2)7-5-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyITFKILQFKMQYBD-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.92
Rot. Bonds4

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

4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136912700) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136912700
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCN(C)CC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-13(4-6-17(2)7-5-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyITFKILQFKMQYBD-UHFFFAOYSA-N
XLogP0.92
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136742758
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136912700) is 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2(C)CCN(C)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ITFKILQFKMQYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(4-6-17(2)7-5-13)8-14-11-10(19-3)12(18)16-9-15-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperidin-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136912700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).