(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol

C10H13N5O — CID 118741238

IUPAC(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(-c2cn[nH]c2)ncn1
InChIInChI=1S/C10H13N5O/c1-7(16)3-11-10-2-9(12-6-13-10)8-4-14-15-5-8/h2,4-7,16H,3H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
InChIKeyZMYODTSDYPCQFF-ZETCQYMHSA-N
MW219.25 g/mol
LogP0.66
Rot. Bonds4

About (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol

(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 118741238) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID118741238
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(-c2cn[nH]c2)ncn1
InChIInChI=1S/C10H13N5O/c1-7(16)3-11-10-2-9(12-6-13-10)8-4-14-15-5-8/h2,4-7,16H,3H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
InChIKeyZMYODTSDYPCQFF-ZETCQYMHSA-N
XLogP0.66
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol (CID 118741238) is (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol is C[C@H](O)CNc1cc(-c2cn[nH]c2)ncn1.
What is the InChIKey of (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is ZMYODTSDYPCQFF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(16)3-11-10-2-9(12-6-13-10)8-4-14-15-5-8/h2,4-7,16H,3H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1.
What are the key properties of (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol?
(2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 219.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(1H-pyrazol-4-yl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 118741238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).