4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

C11H16N4O — CID 139004842

IUPAC4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C11H16N4O/c1-8(16)4-6-15(2)11-9-3-5-12-10(9)13-7-14-11/h3,5,7-8,16H,4,6H2,1-2H3,(H,12,13,14)
InChIKeyPFRBRVQZOUGROD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.16
Rot. Bonds4

About 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (PubChem CID 139004842) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
PubChem CID139004842
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C11H16N4O/c1-8(16)4-6-15(2)11-9-3-5-12-10(9)13-7-14-11/h3,5,7-8,16H,4,6H2,1-2H3,(H,12,13,14)
InChIKeyPFRBRVQZOUGROD-UHFFFAOYSA-N
XLogP1.16
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (CID 139004842) is 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is CC(O)CCN(C)c1ncnc2[nH]ccc12.
What is the InChIKey of 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is PFRBRVQZOUGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(16)4-6-15(2)11-9-3-5-12-10(9)13-7-14-11/h3,5,7-8,16H,4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 220.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 139004842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).