2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

C11H16N4O — CID 110430143

IUPAC2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc2c(NC(C)(C)CO)ncnc2[nH]1
InChIInChI=1S/C11H16N4O/c1-7-4-8-9(14-7)12-6-13-10(8)15-11(2,3)5-16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyPKUJAHFEGYSMAR-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol

2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 110430143) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID110430143
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCc1cc2c(NC(C)(C)CO)ncnc2[nH]1
InChIInChI=1S/C11H16N4O/c1-7-4-8-9(14-7)12-6-13-10(8)15-11(2,3)5-16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyPKUJAHFEGYSMAR-UHFFFAOYSA-N
XLogP1.45
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol (CID 110430143) is 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is Cc1cc2c(NC(C)(C)CO)ncnc2[nH]1.
What is the InChIKey of 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is PKUJAHFEGYSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-4-8-9(14-7)12-6-13-10(8)15-11(2,3)5-16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol?
2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 220.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 110430143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).