2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol

C19H26ClN5O — CID 126792974

IUPAC2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol
SMILESCN1CCN(c2ncc(CNCC(C)(O)c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C19H26ClN5O/c1-19(26,16-5-3-4-6-17(16)20)14-21-11-15-12-22-18(23-13-15)25-9-7-24(2)8-10-25/h3-6,12-13,21,26H,7-11,14H2,1-2H3
InChIKeyIUFNAILLESPETI-UHFFFAOYSA-N
MW375.90 g/mol
LogP1.88
Rot. Bonds6

About 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol

2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol (PubChem CID 126792974) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol
PubChem CID126792974
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol
SMILESCN1CCN(c2ncc(CNCC(C)(O)c3ccccc3Cl)cn2)CC1
InChIInChI=1S/C19H26ClN5O/c1-19(26,16-5-3-4-6-17(16)20)14-21-11-15-12-22-18(23-13-15)25-9-7-24(2)8-10-25/h3-6,12-13,21,26H,7-11,14H2,1-2H3
InChIKeyIUFNAILLESPETI-UHFFFAOYSA-N
XLogP1.88
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

Fenarimol
CID 43226
Nuarimol
CID 91683
Triarimol
CID 33605
Phenyl-(4-chlorophenyl)-(5-pyrimidinyl)carbinol
CID 13813645
LY 43578
CID 161536
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3233875
2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol
CID 10021536
3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol
CID 10407185
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490
4-[4-(5-Chloro-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 11726318
(4-Chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 56679073
Isopyrimol
CID 108328

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol (CID 126792974) is 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol is CN1CCN(c2ncc(CNCC(C)(O)c3ccccc3Cl)cn2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol?
The InChIKey is IUFNAILLESPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O/c1-19(26,16-5-3-4-6-17(16)20)14-21-11-15-12-22-18(23-13-15)25-9-7-24(2)8-10-25/h3-6,12-13,21,26H,7-11,14H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol?
2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol has a molecular weight of 375.90 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol is sourced from PubChem (CID 126792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).