2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol

C12H17N3O — CID 170993637

IUPAC2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol
SMILESNC(C1CC1)C(O)c1cnc(C2CC2)nc1
InChIInChI=1S/C12H17N3O/c13-10(7-1-2-7)11(16)9-5-14-12(15-6-9)8-3-4-8/h5-8,10-11,16H,1-4,13H2
InChIKeyIQKNEEHFSXBBHT-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol

2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol (PubChem CID 170993637) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol
PubChem CID170993637
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol
SMILESNC(C1CC1)C(O)c1cnc(C2CC2)nc1
InChIInChI=1S/C12H17N3O/c13-10(7-1-2-7)11(16)9-5-14-12(15-6-9)8-3-4-8/h5-8,10-11,16H,1-4,13H2
InChIKeyIQKNEEHFSXBBHT-UHFFFAOYSA-N
XLogP1.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol (CID 170993637) is 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol is NC(C1CC1)C(O)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol?
The InChIKey is IQKNEEHFSXBBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10(7-1-2-7)11(16)9-5-14-12(15-6-9)8-3-4-8/h5-8,10-11,16H,1-4,13H2.
What are the key properties of 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol?
2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol has a molecular weight of 219.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 170993637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).