(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

C17H20Cl2N4O2 — CID 31061722

IUPAC(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20Cl2N4O2/c18-13-2-3-16(15(19)10-13)25-12-14(24)11-22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10,14,24H,6-9,11-12H2/t14-/m1/s1
InChIKeyVJALIGBONUZJEI-CQSZACIVSA-N
MW383.28 g/mol
LogP2.35
Rot. Bonds6

About (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol

(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 31061722) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID31061722
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20Cl2N4O2/c18-13-2-3-16(15(19)10-13)25-12-14(24)11-22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10,14,24H,6-9,11-12H2/t14-/m1/s1
InChIKeyVJALIGBONUZJEI-CQSZACIVSA-N
XLogP2.35
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dichlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2918767
1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 2917495
(2S)-1-(2-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 95390818
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(2,4-dichlorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411596
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
4-(2,4-dichlorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539485
(2S)-1-(2,4-dichlorophenoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 7157659

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol (CID 31061722) is (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol is O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is VJALIGBONUZJEI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c18-13-2-3-16(15(19)10-13)25-12-14(24)11-22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10,14,24H,6-9,11-12H2/t14-/m1/s1.
What are the key properties of (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol?
(2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 383.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dichlorophenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 31061722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).