2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol

C16H25N5O — CID 46974182

IUPAC2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc(NCCO)cc(C(C)Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C16H25N5O/c1-10(9-21-13(4)11(2)12(3)20-21)15-8-16(17-6-7-22)19-14(5)18-15/h8,10,22H,6-7,9H2,1-5H3,(H,17,18,19)
InChIKeyVRTXALCQOQQAPR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol

2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 46974182) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID46974182
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol
SMILESCc1nc(NCCO)cc(C(C)Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C16H25N5O/c1-10(9-21-13(4)11(2)12(3)20-21)15-8-16(17-6-7-22)19-14(5)18-15/h8,10,22H,6-7,9H2,1-5H3,(H,17,18,19)
InChIKeyVRTXALCQOQQAPR-UHFFFAOYSA-N
XLogP2.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol (CID 46974182) is 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol is Cc1nc(NCCO)cc(C(C)Cn2nc(C)c(C)c2C)n1.
What is the InChIKey of 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is VRTXALCQOQQAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(9-21-13(4)11(2)12(3)20-21)15-8-16(17-6-7-22)19-14(5)18-15/h8,10,22H,6-7,9H2,1-5H3,(H,17,18,19).
What are the key properties of 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol?
2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 46974182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).