2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

C18H27N5O3 — CID 70748654

IUPAC2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(c3cc(NCCO)ncn3)CC2CCO)o1
InChIInChI=1S/C18H27N5O3/c1-14-2-3-16(26-14)12-22-6-7-23(11-15(22)4-8-24)18-10-17(19-5-9-25)20-13-21-18/h2-3,10,13,15,24-25H,4-9,11-12H2,1H3,(H,19,20,21)
InChIKeyQIFWUFAVBVLXIU-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.86
Rot. Bonds8

About 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol

2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 70748654) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID70748654
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(c3cc(NCCO)ncn3)CC2CCO)o1
InChIInChI=1S/C18H27N5O3/c1-14-2-3-16(26-14)12-22-6-7-23(11-15(22)4-8-24)18-10-17(19-5-9-25)20-13-21-18/h2-3,10,13,15,24-25H,4-9,11-12H2,1H3,(H,19,20,21)
InChIKeyQIFWUFAVBVLXIU-UHFFFAOYSA-N
XLogP0.86
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol (CID 70748654) is 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(c3cc(NCCO)ncn3)CC2CCO)o1.
What is the InChIKey of 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is QIFWUFAVBVLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-14-2-3-16(26-14)12-22-6-7-23(11-15(22)4-8-24)18-10-17(19-5-9-25)20-13-21-18/h2-3,10,13,15,24-25H,4-9,11-12H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol?
2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 361.45 g/mol, XLogP of 0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 70748654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).