(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol

C10H15N5O — CID 95136191

IUPAC(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CN(C)c1ncnc2c1cnn2C
InChIInChI=1S/C10H15N5O/c1-7(16)5-14(2)9-8-4-13-15(3)10(8)12-6-11-9/h4,6-7,16H,5H2,1-3H3/t7-/m1/s1
InChIKeyIUZWAZFFNOQKJI-SSDOTTSWSA-N
MW221.26 g/mol
LogP0.18
Rot. Bonds3

About (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol

(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 95136191) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID95136191
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESC[C@@H](O)CN(C)c1ncnc2c1cnn2C
InChIInChI=1S/C10H15N5O/c1-7(16)5-14(2)9-8-4-13-15(3)10(8)12-6-11-9/h4,6-7,16H,5H2,1-3H3/t7-/m1/s1
InChIKeyIUZWAZFFNOQKJI-SSDOTTSWSA-N
XLogP0.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol (CID 95136191) is (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol is C[C@@H](O)CN(C)c1ncnc2c1cnn2C.
What is the InChIKey of (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is IUZWAZFFNOQKJI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(16)5-14(2)9-8-4-13-15(3)10(8)12-6-11-9/h4,6-7,16H,5H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol?
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 95136191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).