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

C11H19N5O — CID 22613293

IUPAC2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c12-11-14-9(13-4-7-17)8-10(15-11)16-5-2-1-3-6-16/h8,17H,1-7H2,(H3,12,13,14,15)
InChIKeyKPMBSIPSOQUQGU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.45
Rot. Bonds4

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

2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 22613293) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
PubChem CID22613293
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCCCC2)n1
InChIInChI=1S/C11H19N5O/c12-11-14-9(13-4-7-17)8-10(15-11)16-5-2-1-3-6-16/h8,17H,1-7H2,(H3,12,13,14,15)
InChIKeyKPMBSIPSOQUQGU-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
CID 50948345
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-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 72865913
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
2-[[2-amino-6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 50973235
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
2-[[2-amino-6-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)pyrimidin-4-yl]amino]ethanol
CID 50983140
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
4-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(3,5-dimethylphenyl)methyl]piperazin-2-one
CID 72881312
2-[[2-amino-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]amino]ethanol
CID 50966599

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol (CID 22613293) is 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol is Nc1nc(NCCO)cc(N2CCCCC2)n1.
What is the InChIKey of 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is KPMBSIPSOQUQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-11-14-9(13-4-7-17)8-10(15-11)16-5-2-1-3-6-16/h8,17H,1-7H2,(H3,12,13,14,15).
What are the key properties of 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol?
2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 237.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-piperidin-1-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 22613293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).