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

C14H24N4O2 — CID 136805362

IUPAC5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-7-18(9-11-5-4-6-15-8-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyAQQMDVYPHKYONO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.99
Rot. Bonds6

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

5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805362) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805362
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-7-18(9-11-5-4-6-15-8-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyAQQMDVYPHKYONO-UHFFFAOYSA-N
XLogP0.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.99
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-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
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-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
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
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805362) is 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is AQQMDVYPHKYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-7-18(9-11-5-4-6-15-8-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19).
What are the key properties of 5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.99, 6 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-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).