2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol

C11H19N5O — CID 23086181

IUPAC2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol
SMILESNCCNC1CC(O)CCN1c1ccncn1
InChIInChI=1S/C11H19N5O/c12-3-5-14-11-7-9(17)2-6-16(11)10-1-4-13-8-15-10/h1,4,8-9,11,14,17H,2-3,5-7,12H2
InChIKeyYDWDJXXLZISXAB-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.69
Rot. Bonds4

About 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol

2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol (PubChem CID 23086181) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol
PubChem CID23086181
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol
SMILESNCCNC1CC(O)CCN1c1ccncn1
InChIInChI=1S/C11H19N5O/c12-3-5-14-11-7-9(17)2-6-16(11)10-1-4-13-8-15-10/h1,4,8-9,11,14,17H,2-3,5-7,12H2
InChIKeyYDWDJXXLZISXAB-UHFFFAOYSA-N
XLogP-0.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol 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 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol?
The IUPAC name of 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol (CID 23086181) is 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol.
What is the SMILES notation for 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol?
The canonical SMILES for 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol is NCCNC1CC(O)CCN1c1ccncn1.
What is the InChIKey of 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol?
The InChIKey is YDWDJXXLZISXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-3-5-14-11-7-9(17)2-6-16(11)10-1-4-13-8-15-10/h1,4,8-9,11,14,17H,2-3,5-7,12H2.
What are the key properties of 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol?
2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol has a molecular weight of 237.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1-pyrimidin-4-ylpiperidin-4-ol is sourced from PubChem (CID 23086181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).