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

C20H22N6O — CID 10872151

IUPAC(1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nccc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-15(27)19-21-10-8-18(24-19)25-11-13-26(14-12-25)20-22-9-7-17(23-20)16-5-3-2-4-6-16/h2-10,15,27H,11-14H2,1H3/t15-/m1/s1
InChIKeyNCIXZUYMEBFDQH-OAHLLOKOSA-N
MW362.44 g/mol
LogP2.31
Rot. Bonds4

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

(1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10872151) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10872151
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H](O)c1nccc(N2CCN(c3nccc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H22N6O/c1-15(27)19-21-10-8-18(24-19)25-11-13-26(14-12-25)20-22-9-7-17(23-20)16-5-3-2-4-6-16/h2-10,15,27H,11-14H2,1H3/t15-/m1/s1
InChIKeyNCIXZUYMEBFDQH-OAHLLOKOSA-N
XLogP2.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10872151) is (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H](O)c1nccc(N2CCN(c3nccc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is NCIXZUYMEBFDQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15(27)19-21-10-8-18(24-19)25-11-13-26(14-12-25)20-22-9-7-17(23-20)16-5-3-2-4-6-16/h2-10,15,27H,11-14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 362.44 g/mol, XLogP of 2.31, 4 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-phenylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10872151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).