2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol

C13H19N3O — CID 75512708

IUPAC2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-8-12(15-13(14-9)10-2-3-10)16(6-7-17)11-4-5-11/h8,10-11,17H,2-7H2,1H3
InChIKeyDSFUHZMTSQUZTA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds5

About 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol

2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 75512708) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol
PubChem CID75512708
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-9-8-12(15-13(14-9)10-2-3-10)16(6-7-17)11-4-5-11/h8,10-11,17H,2-7H2,1H3
InChIKeyDSFUHZMTSQUZTA-UHFFFAOYSA-N
XLogP1.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol (CID 75512708) is 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol is Cc1cc(N(CCO)C2CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is DSFUHZMTSQUZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-12(15-13(14-9)10-2-3-10)16(6-7-17)11-4-5-11/h8,10-11,17H,2-7H2,1H3.
What are the key properties of 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol?
2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 75512708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).