(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol

C10H14N4O — CID 175667937

IUPAC(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-2-7(5-15)14-10-8-3-4-11-9(8)12-6-13-10/h3-4,6-7,15H,2,5H2,1H3,(H2,11,12,13,14)/t7-/m1/s1
InChIKeyWSZBYLKYHUGZRO-SSDOTTSWSA-N
MW206.25 g/mol
LogP1.14
Rot. Bonds4

About (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol

(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (PubChem CID 175667937) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
PubChem CID175667937
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C10H14N4O/c1-2-7(5-15)14-10-8-3-4-11-9(8)12-6-13-10/h3-4,6-7,15H,2,5H2,1H3,(H2,11,12,13,14)/t7-/m1/s1
InChIKeyWSZBYLKYHUGZRO-SSDOTTSWSA-N
XLogP1.14
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol with MolForge

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Related Compounds

(2S,3R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butane-1,3-diol
CID 175667925
(2R)-3-phenylmethoxy-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propan-1-ol
CID 175667906
(2S,3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-2-ol
CID 175668026
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 122050876
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
(2R)-4-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 122049116
(2S)-2-[(6-iodothieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 125421599
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
(2S)-2-(thieno[3,2-d]pyrimidin-4-ylamino)butan-1-ol
CID 93033856

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The IUPAC name of (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (CID 175667937) is (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The canonical SMILES for (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is CC[C@H](CO)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The InChIKey is WSZBYLKYHUGZRO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-7(5-15)14-10-8-3-4-11-9(8)12-6-13-10/h3-4,6-7,15H,2,5H2,1H3,(H2,11,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol has a molecular weight of 206.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is sourced from PubChem (CID 175667937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).