4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H20N4O2 — CID 136989360

IUPAC4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCCC2CCN)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16-7-3-2-4-9(16)5-6-13/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeyZLWYEEYQZJURKV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.49
Rot. Bonds4

About 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989360) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989360
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCCC2CCN)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16-7-3-2-4-9(16)5-6-13/h8-9H,2-7,13H2,1H3,(H,14,15,17)
InChIKeyZLWYEEYQZJURKV-UHFFFAOYSA-N
XLogP0.49
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
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-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
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-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136752208
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136989360) is 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCCC2CCN)nc[nH]c1=O.
What is the InChIKey of 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZLWYEEYQZJURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-10-11(14-8-15-12(10)17)16-7-3-2-4-9(16)5-6-13/h8-9H,2-7,13H2,1H3,(H,14,15,17).
What are the key properties of 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).