5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one

C13H22N4O2 — CID 136974402

IUPAC5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)N2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-10(17-6-4-3-5-7-17)8-14-12-11(19-2)13(18)16-9-15-12/h9-10H,3-8H2,1-2H3,(H2,14,15,16,18)
InChIKeyIVIZKNURSSCYDZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.06
Rot. Bonds5

About 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one

5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 136974402) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID136974402
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)N2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-10(17-6-4-3-5-7-17)8-14-12-11(19-2)13(18)16-9-15-12/h9-10H,3-8H2,1-2H3,(H2,14,15,16,18)
InChIKeyIVIZKNURSSCYDZ-UHFFFAOYSA-N
XLogP1.06
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57205020
5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57238367
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
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-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702381
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726422

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one (CID 136974402) is 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one is COc1c(NCC(C)N2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is IVIZKNURSSCYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(17-6-4-3-5-7-17)8-14-12-11(19-2)13(18)16-9-15-12/h9-10H,3-8H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-piperidin-1-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).