5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

C14H24N4O2 — CID 136805317

IUPAC5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-8-18(9-11-6-4-5-7-15-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyNEPXSKVNTAYPET-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.14
Rot. Bonds6

About 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805317) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136805317
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H24N4O2/c1-3-8-18(9-11-6-4-5-7-15-11)13-12(20-2)14(19)17-10-16-13/h10-11,15H,3-9H2,1-2H3,(H,16,17,19)
InChIKeyNEPXSKVNTAYPET-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one (CID 136805317) is 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC1CCCCN1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NEPXSKVNTAYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-8-18(9-11-6-4-5-7-15-11)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-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 1.14, 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-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).