(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol

C10H12ClN3O2 — CID 134823803

IUPAC(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol
SMILESCc1nc(Cl)c2ccn(C[C@H](O)CO)c2n1
InChIInChI=1S/C10H12ClN3O2/c1-6-12-9(11)8-2-3-14(10(8)13-6)4-7(16)5-15/h2-3,7,15-16H,4-5H2,1H3/t7-/m0/s1
InChIKeyFNLFQIWTWXFSBP-ZETCQYMHSA-N
MW241.68 g/mol
LogP0.75
Rot. Bonds3

About (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol

(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol (PubChem CID 134823803) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol
PubChem CID134823803
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol
SMILESCc1nc(Cl)c2ccn(C[C@H](O)CO)c2n1
InChIInChI=1S/C10H12ClN3O2/c1-6-12-9(11)8-2-3-14(10(8)13-6)4-7(16)5-15/h2-3,7,15-16H,4-5H2,1H3/t7-/m0/s1
InChIKeyFNLFQIWTWXFSBP-ZETCQYMHSA-N
XLogP0.75
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 16-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)hexadecanoate
CID 155689578
3-(4-chloro-2-methylimidazol-1-yl)propane-1,2-diol
CID 56632217
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672
4-chloro-7-cyclopent-3-en-1-yl-2-methylpyrrolo[2,3-d]pyrimidine
CID 126562791
1-(2,3-dihydroxypropyl)-4-methylsulfanylpyrimidin-2-one
CID 25147405
1-[1-(2,3-dihydroxypropyl)-2-methylpyrrol-3-yl]ethanone
CID 84616703
7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidine
CID 129216122
2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
CID 58398901
3-(6-amino-4-methylsulfanylindol-1-yl)propane-1,2-diol
CID 82849601
2,4-dichloro-7-prop-2-enylpyrrolo[2,3-d]pyrimidine
CID 10513516
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol?
The IUPAC name of (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol (CID 134823803) is (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol?
The canonical SMILES for (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol is Cc1nc(Cl)c2ccn(C[C@H](O)CO)c2n1.
What is the InChIKey of (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol?
The InChIKey is FNLFQIWTWXFSBP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-6-12-9(11)8-2-3-14(10(8)13-6)4-7(16)5-15/h2-3,7,15-16H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol?
(2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol has a molecular weight of 241.68 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chloro-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)propane-1,2-diol is sourced from PubChem (CID 134823803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).