(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol

C10H14N4O2 — CID 175667925

IUPAC(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
SMILESC[C@@H](O)[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O2/c1-6(16)8(4-15)14-10-7-2-3-11-9(7)12-5-13-10/h2-3,5-6,8,15-16H,4H2,1H3,(H2,11,12,13,14)/t6-,8+/m1/s1
InChIKeyZUJPLRBOENZJHF-SVRRBLITSA-N
MW222.25 g/mol
LogP0.11
Rot. Bonds4

About (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol

(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol (PubChem CID 175667925) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
PubChem CID175667925
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
SMILESC[C@@H](O)[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O2/c1-6(16)8(4-15)14-10-7-2-3-11-9(7)12-5-13-10/h2-3,5-6,8,15-16H,4H2,1H3,(H2,11,12,13,14)/t6-,8+/m1/s1
InChIKeyZUJPLRBOENZJHF-SVRRBLITSA-N
XLogP0.11
TPSA94.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
(2R)-4-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122049116
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
(2R)-3-phenylmethoxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
CID 175667906
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962
N-[1-(2-methylpropyl)piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 136522620
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146142781
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 139004842
4-(3-methylbut-1-en-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11644053

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol?
The IUPAC name of (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol (CID 175667925) is (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol.
What is the SMILES notation for (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol?
The canonical SMILES for (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol is C[C@@H](O)[C@H](CO)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol?
The InChIKey is ZUJPLRBOENZJHF-SVRRBLITSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(16)8(4-15)14-10-7-2-3-11-9(7)12-5-13-10/h2-3,5-6,8,15-16H,4H2,1H3,(H2,11,12,13,14)/t6-,8+/m1/s1.
What are the key properties of (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol?
(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol has a molecular weight of 222.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol is sourced from PubChem (CID 175667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).