(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C15H20N6O — CID 11055689

IUPAC(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1ccnc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-11-3-5-17-15(18-11)21-9-7-20(8-10-21)13-4-6-16-14(19-13)12(2)22/h3-6,12,22H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyPIEKQZBZOFUQGP-GFCCVEGCSA-N
MW300.37 g/mol
LogP0.95
Rot. Bonds3

About (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 11055689) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID11055689
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1ccnc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-11-3-5-17-15(18-11)21-9-7-20(8-10-21)13-4-6-16-14(19-13)12(2)22/h3-6,12,22H,7-10H2,1-2H3/t12-/m1/s1
InChIKeyPIEKQZBZOFUQGP-GFCCVEGCSA-N
XLogP0.95
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 11055689) is (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1ccnc(N2CCN(c3ccnc([C@@H](C)O)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is PIEKQZBZOFUQGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-3-5-17-15(18-11)21-9-7-20(8-10-21)13-4-6-16-14(19-13)12(2)22/h3-6,12,22H,7-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 300.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 11055689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).