2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol

C16H28N6O — CID 50948345

IUPAC2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20)
InChIKeyXPXLYWKUIYUXLG-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.92
Rot. Bonds5

About 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 50948345) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID50948345
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20)
InChIKeyXPXLYWKUIYUXLG-UHFFFAOYSA-N
XLogP0.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
CID 22613293
2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 72865913
2-[[2-amino-6-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 86283680
4-N-(cyclopropylmethyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 130324603
(3S,4R)-9-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163315394
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
CID 80929260
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
2-[[2-amino-6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 50973235
3-[(2-amino-6-morpholin-4-ylpyrimidin-4-yl)amino]-N-cyclohexylpropanamide
CID 50982599
4-N-butyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 119050901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol (CID 50948345) is 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is XPXLYWKUIYUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20).
What are the key properties of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 320.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 50948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).