2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol

C11H18N4O — CID 83890724

IUPAC2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol
SMILESCN(C)c1ncc(C(O)CN)c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-15(2)11-13-6-8(9(16)5-12)10(14-11)7-3-4-7/h6-7,9,16H,3-5,12H2,1-2H3
InChIKeyIYRPKZMDRFMJOS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol

2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol (PubChem CID 83890724) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol
PubChem CID83890724
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol
SMILESCN(C)c1ncc(C(O)CN)c(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-15(2)11-13-6-8(9(16)5-12)10(14-11)7-3-4-7/h6-7,9,16H,3-5,12H2,1-2H3
InChIKeyIYRPKZMDRFMJOS-UHFFFAOYSA-N
XLogP0.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol?
The IUPAC name of 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol (CID 83890724) is 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol is CN(C)c1ncc(C(O)CN)c(C2CC2)n1.
What is the InChIKey of 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol?
The InChIKey is IYRPKZMDRFMJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)11-13-6-8(9(16)5-12)10(14-11)7-3-4-7/h6-7,9,16H,3-5,12H2,1-2H3.
What are the key properties of 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol?
2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-cyclopropyl-2-(dimethylamino)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 83890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).