1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol

C11H19N5O — CID 66903032

IUPAC1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESNCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H19N5O/c12-4-6-14-11-13-5-3-10(15-11)16-7-1-2-9(17)8-16/h3,5,9,17H,1-2,4,6-8,12H2,(H,13,14,15)
InChIKeyCZFITCRVXFKMLI-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.19
Rot. Bonds4

About 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol

1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol (PubChem CID 66903032) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol
PubChem CID66903032
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol
SMILESNCCNc1nccc(N2CCCC(O)C2)n1
InChIInChI=1S/C11H19N5O/c12-4-6-14-11-13-5-3-10(15-11)16-7-1-2-9(17)8-16/h3,5,9,17H,1-2,4,6-8,12H2,(H,13,14,15)
InChIKeyCZFITCRVXFKMLI-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-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 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol (CID 66903032) is 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol is NCCNc1nccc(N2CCCC(O)C2)n1.
What is the InChIKey of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is CZFITCRVXFKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-4-6-14-11-13-5-3-10(15-11)16-7-1-2-9(17)8-16/h3,5,9,17H,1-2,4,6-8,12H2,(H,13,14,15).
What are the key properties of 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol?
1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 237.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 66903032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).