2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C15H26ClN3O — CID 80972297

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)C(CC)CC)n1
InChIInChI=1S/C15H26ClN3O/c1-5-8-13-17-14(16)11(4)15(18-13)19(9-10-20)12(6-2)7-3/h12,20H,5-10H2,1-4H3
InChIKeyGSKCYWVFYCLRHC-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.38
Rot. Bonds8

About 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 80972297) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID80972297
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCCc1nc(Cl)c(C)c(N(CCO)C(CC)CC)n1
InChIInChI=1S/C15H26ClN3O/c1-5-8-13-17-14(16)11(4)15(18-13)19(9-10-20)12(6-2)7-3/h12,20H,5-10H2,1-4H3
InChIKeyGSKCYWVFYCLRHC-UHFFFAOYSA-N
XLogP3.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972379
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 63271902
6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80979560
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80994737
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865835
2-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972296
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80978719
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80972375

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 80972297) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCCc1nc(Cl)c(C)c(N(CCO)C(CC)CC)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is GSKCYWVFYCLRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-5-8-13-17-14(16)11(4)15(18-13)19(9-10-20)12(6-2)7-3/h12,20H,5-10H2,1-4H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 299.85 g/mol, XLogP of 3.38, 8 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-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80972297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).