2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol

C16H22N4O2 — CID 72870710

IUPAC2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESCc1cnc(N2CCN(Cc3ccco3)C(CCO)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-13-9-17-16(18-10-13)20-6-5-19(14(11-20)4-7-21)12-15-3-2-8-22-15/h2-3,8-10,14,21H,4-7,11-12H2,1H3
InChIKeyNUZUFGHKOMYJEU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol

2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol (PubChem CID 72870710) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
PubChem CID72870710
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESCc1cnc(N2CCN(Cc3ccco3)C(CCO)C2)nc1
InChIInChI=1S/C16H22N4O2/c1-13-9-17-16(18-10-13)20-6-5-19(14(11-20)4-7-21)12-15-3-2-8-22-15/h2-3,8-10,14,21H,4-7,11-12H2,1H3
InChIKeyNUZUFGHKOMYJEU-UHFFFAOYSA-N
XLogP1.45
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 126438969
2-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 95896806
2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 56915290
2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98649458
(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97435879
2-[(2R)-4-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98580104
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 98566079
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 98710583
2-[(2R)-4-(3-chloro-2-pyridinyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98769675
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 95863076
2-[(2S)-4-(2-amino-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 95861110

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol (CID 72870710) is 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol is Cc1cnc(N2CCN(Cc3ccco3)C(CCO)C2)nc1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The InChIKey is NUZUFGHKOMYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-9-17-16(18-10-13)20-6-5-19(14(11-20)4-7-21)12-15-3-2-8-22-15/h2-3,8-10,14,21H,4-7,11-12H2,1H3.
What are the key properties of 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol?
2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol has a molecular weight of 302.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 72870710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).