2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

C17H30N6O — CID 95128680

IUPAC2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(c2cc(NC3CC3)nc(N)n2)C[C@@H]1CCO
InChIInChI=1S/C17H30N6O/c1-12(2)10-22-6-7-23(11-14(22)5-8-24)16-9-15(19-13-3-4-13)20-17(18)21-16/h9,12-14,24H,3-8,10-11H2,1-2H3,(H3,18,19,20,21)/t14-/m0/s1
InChIKeyHABQOMHCHBXUET-AWEZNQCLSA-N
MW334.47 g/mol
LogP1.16
Rot. Bonds7

About 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol

2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (PubChem CID 95128680) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
PubChem CID95128680
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)CN1CCN(c2cc(NC3CC3)nc(N)n2)C[C@@H]1CCO
InChIInChI=1S/C17H30N6O/c1-12(2)10-22-6-7-23(11-14(22)5-8-24)16-9-15(19-13-3-4-13)20-17(18)21-16/h9,12-14,24H,3-8,10-11H2,1-2H3,(H3,18,19,20,21)/t14-/m0/s1
InChIKeyHABQOMHCHBXUET-AWEZNQCLSA-N
XLogP1.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol (CID 95128680) is 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is CC(C)CN1CCN(c2cc(NC3CC3)nc(N)n2)C[C@@H]1CCO.
What is the InChIKey of 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
The InChIKey is HABQOMHCHBXUET-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N6O/c1-12(2)10-22-6-7-23(11-14(22)5-8-24)16-9-15(19-13-3-4-13)20-17(18)21-16/h9,12-14,24H,3-8,10-11H2,1-2H3,(H3,18,19,20,21)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol has a molecular weight of 334.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-1-(2-methylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 95128680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).