(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol

C9H15N3O — CID 130660373

IUPAC(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cnc(N[C@@H](C)CO)nc1C
InChIInChI=1S/C9H15N3O/c1-6-4-10-9(12-8(6)3)11-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,10,11,12)/t7-/m0/s1
InChIKeyFLPBBSBWCAZORS-ZETCQYMHSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds3

About (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol

(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 130660373) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID130660373
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cnc(N[C@@H](C)CO)nc1C
InChIInChI=1S/C9H15N3O/c1-6-4-10-9(12-8(6)3)11-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,10,11,12)/t7-/m0/s1
InChIKeyFLPBBSBWCAZORS-ZETCQYMHSA-N
XLogP0.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol (CID 130660373) is (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol is Cc1cnc(N[C@@H](C)CO)nc1C.
What is the InChIKey of (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is FLPBBSBWCAZORS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-10-9(12-8(6)3)11-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,10,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol?
(2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-dimethylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 130660373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).