2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol

C8H12ClN3O2 — CID 126590832

IUPAC2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
SMILESC[C@@H](CO)N(C)c1nc(Cl)ncc1O
InChIInChI=1S/C8H12ClN3O2/c1-5(4-13)12(2)7-6(14)3-10-8(9)11-7/h3,5,13-14H,4H2,1-2H3/t5-/m0/s1
InChIKeyFGKSLSGLWZTPGL-YFKPBYRVSA-N
MW217.66 g/mol
LogP0.65
Rot. Bonds3

About 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol

2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol (PubChem CID 126590832) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
PubChem CID126590832
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol
SMILESC[C@@H](CO)N(C)c1nc(Cl)ncc1O
InChIInChI=1S/C8H12ClN3O2/c1-5(4-13)12(2)7-6(14)3-10-8(9)11-7/h3,5,13-14H,4H2,1-2H3/t5-/m0/s1
InChIKeyFGKSLSGLWZTPGL-YFKPBYRVSA-N
XLogP0.65
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-chloro-5-fluoro-N-methylpyrimidin-4-amine
CID 79081539
2-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]propan-1-ol
CID 104553306
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
5-bromo-2-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 112663144
1-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 79072496
3-[(2-chloro-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 79073009
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104553285
4-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
CID 104552441
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
2-[(2,5-dichloropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 79631967
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol (CID 126590832) is 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol is C[C@@H](CO)N(C)c1nc(Cl)ncc1O.
What is the InChIKey of 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol?
The InChIKey is FGKSLSGLWZTPGL-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(4-13)12(2)7-6(14)3-10-8(9)11-7/h3,5,13-14H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol?
2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol has a molecular weight of 217.66 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2S)-1-hydroxypropan-2-yl]-methylamino]pyrimidin-5-ol is sourced from PubChem (CID 126590832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).