2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol

C16H26ClN3O — CID 80980373

IUPAC2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCc1c(Cl)nc(C(C)C)nc1N(CCO)C1CCCCC1
InChIInChI=1S/C16H26ClN3O/c1-11(2)15-18-14(17)12(3)16(19-15)20(9-10-21)13-7-5-4-6-8-13/h11,13,21H,4-10H2,1-3H3
InChIKeyQESOOUQQBXATOD-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.69
Rot. Bonds5

About 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol (PubChem CID 80980373) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
PubChem CID80980373
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCc1c(Cl)nc(C(C)C)nc1N(CCO)C1CCCCC1
InChIInChI=1S/C16H26ClN3O/c1-11(2)15-18-14(17)12(3)16(19-15)20(9-10-21)13-7-5-4-6-8-13/h11,13,21H,4-10H2,1-3H3
InChIKeyQESOOUQQBXATOD-UHFFFAOYSA-N
XLogP3.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972375
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865866
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 102875528
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970575
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865835
2-[cyclopentyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65275448
6-chloro-N-cyclopentyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 55229296
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80971453
2-[cyclopropyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 61147636
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol (CID 80980373) is 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol is Cc1c(Cl)nc(C(C)C)nc1N(CCO)C1CCCCC1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The InChIKey is QESOOUQQBXATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)15-18-14(17)12(3)16(19-15)20(9-10-21)13-7-5-4-6-8-13/h11,13,21H,4-10H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol?
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol has a molecular weight of 311.86 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 80980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).