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

C13H22N4O2 — CID 136978148

IUPAC5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1nc[nH]c(=O)c1OC)C1CCCNC1
InChIInChI=1S/C13H22N4O2/c1-3-7-17(10-5-4-6-14-8-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyYARLARPNOBWUAP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.75
Rot. Bonds5

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

5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136978148) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136978148
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(c1nc[nH]c(=O)c1OC)C1CCCNC1
InChIInChI=1S/C13H22N4O2/c1-3-7-17(10-5-4-6-14-8-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyYARLARPNOBWUAP-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
3,6-dimethyl-N-piperidin-3-yl-N-propylpyrazin-2-amine
CID 63636338
3-[piperidin-3-yl(propyl)amino]pyrazine-2-carbonitrile
CID 63636497
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
5-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540583
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
5-methoxy-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586320

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one (CID 136978148) is 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one is CCCN(c1nc[nH]c(=O)c1OC)C1CCCNC1.
What is the InChIKey of 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YARLARPNOBWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-7-17(10-5-4-6-14-8-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[piperidin-3-yl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136978148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).