4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one

C12H20N4O — CID 136979055

IUPAC4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C(C)N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16-5-4-9(7-16)8(2)13/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)
InChIKeyYPZARPRXBIGOKB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds3

About 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one

4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979055) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979055
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCC(C(C)N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16-5-4-9(7-16)8(2)13/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)
InChIKeyYPZARPRXBIGOKB-UHFFFAOYSA-N
XLogP0.51
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one (CID 136979055) is 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCC(C(C)N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YPZARPRXBIGOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-14-11(6-12(17)15-10)16-5-4-9(7-16)8(2)13/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one?
4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).