2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

C16H21N5O — CID 4178655

IUPAC2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccn2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13-18-15(14-4-2-3-5-17-14)12-16(19-13)21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11H2,1H3
InChIKeyWOYDHNYDGLZQOS-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 4178655) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID4178655
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccn2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C16H21N5O/c1-13-18-15(14-4-2-3-5-17-14)12-16(19-13)21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11H2,1H3
InChIKeyWOYDHNYDGLZQOS-UHFFFAOYSA-N
XLogP0.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 4178655) is 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1nc(-c2ccccn2)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is WOYDHNYDGLZQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-18-15(14-4-2-3-5-17-14)12-16(19-13)21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11H2,1H3.
What are the key properties of 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 299.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 4178655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).