1-(4-amino-6-chloropyrimidin-5-yl)ethanol

C6H8ClN3O — CID 154663178

IUPAC1-(4-amino-6-chloropyrimidin-5-yl)ethanol
SMILESCC(O)c1c(N)ncnc1Cl
InChIInChI=1S/C6H8ClN3O/c1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3,(H2,8,9,10)
InChIKeySBGUJBALFRWZLJ-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.77
Rot. Bonds1

About 1-(4-amino-6-chloropyrimidin-5-yl)ethanol

1-(4-amino-6-chloropyrimidin-5-yl)ethanol (PubChem CID 154663178) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 1-(4-amino-6-chloropyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-amino-6-chloropyrimidin-5-yl)ethanol
PubChem CID154663178
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name1-(4-amino-6-chloropyrimidin-5-yl)ethanol
SMILESCC(O)c1c(N)ncnc1Cl
InChIInChI=1S/C6H8ClN3O/c1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3,(H2,8,9,10)
InChIKeySBGUJBALFRWZLJ-UHFFFAOYSA-N
XLogP0.77
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dichloropyrimidin-5-yl)ethan-1-ol
CID 12278258
1-(2,4-Dichloropyrimidin-5-yl)ethan-1-ol
CID 15141648
(4-Chloro-6-(dimethylamino)pyrimidin-5-yl)methanol
CID 71756642
tert-butyl N-[6-chloro-5-[(1S)-2,2-difluoro-1-hydroxyethyl]pyrimidin-4-yl]carbamate
CID 178041445
tert-butyl N-[6-chloro-5-(2,2-difluoro-1-hydroxyethyl)pyrimidin-4-yl]carbamate
CID 178041693
tert-butyl N-[6-chloro-5-[(1R)-2,2-difluoro-1-hydroxyethyl]pyrimidin-4-yl]carbamate
CID 178041778
tert-butyl N-[6-chloro-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrimidin-4-yl]carbamate
CID 178043242
3-[(6-Chloro-5-ethylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648200
3-[(6-Chloro-5-ethylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105648303
3-[(6-Chloro-5-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106178797
3-[(6-Chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106178819
(1R)-1-[4-chloro-6-(dimethylamino)pyrimidin-5-yl]-2,2,2-trifluoroethan-1-ol
CID 165629954

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloropyrimidin-5-yl)ethanol?
The IUPAC name of 1-(4-amino-6-chloropyrimidin-5-yl)ethanol (CID 154663178) is 1-(4-amino-6-chloropyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(4-amino-6-chloropyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(4-amino-6-chloropyrimidin-5-yl)ethanol is CC(O)c1c(N)ncnc1Cl.
What is the InChIKey of 1-(4-amino-6-chloropyrimidin-5-yl)ethanol?
The InChIKey is SBGUJBALFRWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-3(11)4-5(7)9-2-10-6(4)8/h2-3,11H,1H3,(H2,8,9,10).
What are the key properties of 1-(4-amino-6-chloropyrimidin-5-yl)ethanol?
1-(4-amino-6-chloropyrimidin-5-yl)ethanol has a molecular weight of 173.60 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloropyrimidin-5-yl)ethanol is sourced from PubChem (CID 154663178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).