2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol

C9H14ClN3O — CID 63736464

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
SMILESCCCc1c(Cl)ncnc1NCCO
InChIInChI=1S/C9H14ClN3O/c1-2-3-7-8(10)12-6-13-9(7)11-4-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyQBPCFLNBGUPEFM-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.49
Rot. Bonds5

About 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol (PubChem CID 63736464) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
PubChem CID63736464
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
SMILESCCCc1c(Cl)ncnc1NCCO
InChIInChI=1S/C9H14ClN3O/c1-2-3-7-8(10)12-6-13-9(7)11-4-5-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyQBPCFLNBGUPEFM-UHFFFAOYSA-N
XLogP1.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
CID 63736500
6-chloro-N-(2-prop-2-enylsulfanylethyl)-5-propylpyrimidin-4-amine
CID 106431886
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
6-chloro-5-propyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 114173942
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol (CID 63736464) is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol is CCCc1c(Cl)ncnc1NCCO.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol?
The InChIKey is QBPCFLNBGUPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-3-7-8(10)12-6-13-9(7)11-4-5-14/h6,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol?
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol has a molecular weight of 215.68 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 63736464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).