4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one

C11H20N4O — CID 136704110

IUPAC4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-2-3-9(4-5-12)7-13-10-6-11(16)15-8-14-10/h6,8-9H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyIYLRJXOKHVSDSC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds7

About 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one (PubChem CID 136704110) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
PubChem CID136704110
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H20N4O/c1-2-3-9(4-5-12)7-13-10-6-11(16)15-8-14-10/h6,8-9H,2-5,7,12H2,1H3,(H2,13,14,15,16)
InChIKeyIYLRJXOKHVSDSC-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one (CID 136704110) is 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one is CCCC(CCN)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one?
The InChIKey is IYLRJXOKHVSDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-9(4-5-12)7-13-10-6-11(16)15-8-14-10/h6,8-9H,2-5,7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).