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

C11H16N4O — CID 171389859

IUPAC(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC(C)[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C11H16N4O/c1-7(2)9(5-16)15-11-8-3-4-12-10(8)13-6-14-11/h3-4,6-7,9,16H,5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyUQNGWKIAUTZMKI-VIFPVBQESA-N
MW220.28 g/mol
LogP1.39
Rot. Bonds4

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

(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (PubChem CID 171389859) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
PubChem CID171389859
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
SMILESCC(C)[C@H](CO)Nc1ncnc2[nH]ccc12
InChIInChI=1S/C11H16N4O/c1-7(2)9(5-16)15-11-8-3-4-12-10(8)13-6-14-11/h3-4,6-7,9,16H,5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1
InChIKeyUQNGWKIAUTZMKI-VIFPVBQESA-N
XLogP1.39
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol (CID 171389859) is (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is CC(C)[C@H](CO)Nc1ncnc2[nH]ccc12.
What is the InChIKey of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
The InChIKey is UQNGWKIAUTZMKI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)9(5-16)15-11-8-3-4-12-10(8)13-6-14-11/h3-4,6-7,9,16H,5H2,1-2H3,(H2,12,13,14,15)/t9-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol?
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol has a molecular weight of 220.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol is sourced from PubChem (CID 171389859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).