[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C16H24N4O2 — CID 133390263

IUPAC[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCC2=CCOCC2)ncn1
InChIInChI=1S/C16H24N4O2/c21-11-14-2-1-7-20(14)16-10-15(18-12-19-16)17-6-3-13-4-8-22-9-5-13/h4,10,12,14,21H,1-3,5-9,11H2,(H,17,18,19)
InChIKeyGSQZZEDXYSRJLF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.59
Rot. Bonds6

About [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133390263) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133390263
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCCC2=CCOCC2)ncn1
InChIInChI=1S/C16H24N4O2/c21-11-14-2-1-7-20(14)16-10-15(18-12-19-16)17-6-3-13-4-8-22-9-5-13/h4,10,12,14,21H,1-3,5-9,11H2,(H,17,18,19)
InChIKeyGSQZZEDXYSRJLF-UHFFFAOYSA-N
XLogP1.59
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[1-[6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133390263) is [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCCC2=CCOCC2)ncn1.
What is the InChIKey of [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GSQZZEDXYSRJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-11-14-2-1-7-20(14)16-10-15(18-12-19-16)17-6-3-13-4-8-22-9-5-13/h4,10,12,14,21H,1-3,5-9,11H2,(H,17,18,19).
What are the key properties of [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 304.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133390263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).