6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

C13H23N5O2 — CID 142331310

IUPAC6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(NCCN)cc2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-17-6-2-13(20,3-7-17)9-18-10-16-11(8-12(18)19)15-5-4-14/h8,10,15,20H,2-7,9,14H2,1H3
InChIKeyDEZUVRIUEKQNTP-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.93
Rot. Bonds5

About 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one

6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 142331310) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID142331310
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(NCCN)cc2=O)CC1
InChIInChI=1S/C13H23N5O2/c1-17-6-2-13(20,3-7-17)9-18-10-16-11(8-12(18)19)15-5-4-14/h8,10,15,20H,2-7,9,14H2,1H3
InChIKeyDEZUVRIUEKQNTP-UHFFFAOYSA-N
XLogP-0.93
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 142331310) is 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is CN1CCC(O)(Cn2cnc(NCCN)cc2=O)CC1.
What is the InChIKey of 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is DEZUVRIUEKQNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-17-6-2-13(20,3-7-17)9-18-10-16-11(8-12(18)19)15-5-4-14/h8,10,15,20H,2-7,9,14H2,1H3.
What are the key properties of 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 281.36 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 142331310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).