(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol

C11H19N3O — CID 59618137

IUPAC(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cc(C(C)C)nc(N[C@@H](C)CO)n1
InChIInChI=1S/C11H19N3O/c1-7(2)10-5-8(3)12-11(14-10)13-9(4)6-15/h5,7,9,15H,6H2,1-4H3,(H,12,13,14)/t9-/m0/s1
InChIKeyFTGAGVUMSIBHBT-VIFPVBQESA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds4

About (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol

(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 59618137) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID59618137
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCc1cc(C(C)C)nc(N[C@@H](C)CO)n1
InChIInChI=1S/C11H19N3O/c1-7(2)10-5-8(3)12-11(14-10)13-9(4)6-15/h5,7,9,15H,6H2,1-4H3,(H,12,13,14)/t9-/m0/s1
InChIKeyFTGAGVUMSIBHBT-VIFPVBQESA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (CID 59618137) is (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is Cc1cc(C(C)C)nc(N[C@@H](C)CO)n1.
What is the InChIKey of (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is FTGAGVUMSIBHBT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)10-5-8(3)12-11(14-10)13-9(4)6-15/h5,7,9,15H,6H2,1-4H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
(2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 59618137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).