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

C12H21N3O — CID 59618245

IUPAC2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCCc1cc(C(C)C)nc(NC(C)CO)n1
InChIInChI=1S/C12H21N3O/c1-5-10-6-11(8(2)3)15-12(14-10)13-9(4)7-16/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyHESMCSLQYMDLNB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds5

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

2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 59618245) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID59618245
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCCc1cc(C(C)C)nc(NC(C)CO)n1
InChIInChI=1S/C12H21N3O/c1-5-10-6-11(8(2)3)15-12(14-10)13-9(4)7-16/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyHESMCSLQYMDLNB-UHFFFAOYSA-N
XLogP1.96
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (CID 59618245) is 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is CCc1cc(C(C)C)nc(NC(C)CO)n1.
What is the InChIKey of 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is HESMCSLQYMDLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10-6-11(8(2)3)15-12(14-10)13-9(4)7-16/h6,8-9,16H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 59618245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).