2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C11H16N4O — CID 175667994

IUPAC2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1c[nH]c2ncnc(NCC(C)(C)O)c12
InChIInChI=1S/C11H16N4O/c1-7-4-12-9-8(7)10(15-6-14-9)13-5-11(2,3)16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyAVRAWXAQCKCPRB-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 175667994) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID175667994
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1c[nH]c2ncnc(NCC(C)(C)O)c12
InChIInChI=1S/C11H16N4O/c1-7-4-12-9-8(7)10(15-6-14-9)13-5-11(2,3)16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyAVRAWXAQCKCPRB-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-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 12662864
(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)pyrrolidin-3-Amine
CID 45480169
N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)formamide
CID 46837763
4-N,4-N-dimethyl-1-N-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 137635761
4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 5496048
5-Iodo-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 9856490
2-methyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 18334366
[(3r)-1-(5-Methyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)piperidin-3-Yl]methanol
CID 129900195
(2R)-3-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 171389859
(R)-N-(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)acetamide
CID 46837625
N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)acetamide
CID 46837764
(3S)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 70689727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 175667994) is 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is Cc1c[nH]c2ncnc(NCC(C)(C)O)c12.
What is the InChIKey of 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is AVRAWXAQCKCPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-4-12-9-8(7)10(15-6-14-9)13-5-11(2,3)16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
2-methyl-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-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-1-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 175667994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).