(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol

C10H14N4O — CID 175668026

IUPAC(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
SMILESC[C@H](O)[C@@H](C)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1
InChIKeyNQVAINCTHXPPAZ-RQJHMYQMSA-N
MW206.25 g/mol
LogP1.14
Rot. Bonds3

About (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol

(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol (PubChem CID 175668026) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
PubChem CID175668026
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
SMILESC[C@H](O)[C@@H](C)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1
InChIKeyNQVAINCTHXPPAZ-RQJHMYQMSA-N
XLogP1.14
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-Deazaadenine
CID 5359620
7H-Pyrrolo(2,3-d)pyrimidine
CID 261591
6-Pyrrolidino-7-deazapurine
CID 4428602
4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18008465
N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-{7H-Pyrrolo[2,3-d]pyrimidin-4-yl}morpholine
CID 9815628
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 11564772
N-cyclohexyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083227
N-cyclopentyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083230
2-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine
CID 18008429

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol?
The IUPAC name of (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol (CID 175668026) is (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol.
What is the SMILES notation for (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol?
The canonical SMILES for (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol is C[C@H](O)[C@@H](C)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol?
The InChIKey is NQVAINCTHXPPAZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol?
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol is sourced from PubChem (CID 175668026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).