(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

C11H16N4O2 — CID 72886122

IUPAC(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CC(O)C2)cn1
InChIInChI=1S/C11H16N4O2/c1-7(2)14-11-12-3-8(4-13-11)10(17)15-5-9(16)6-15/h3-4,7,9,16H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyMZQLQBNUWXYPAT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.11
Rot. Bonds3

About (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (PubChem CID 72886122) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
PubChem CID72886122
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)Nc1ncc(C(=O)N2CC(O)C2)cn1
InChIInChI=1S/C11H16N4O2/c1-7(2)14-11-12-3-8(4-13-11)10(17)15-5-9(16)6-15/h3-4,7,9,16H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyMZQLQBNUWXYPAT-UHFFFAOYSA-N
XLogP0.11
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone (CID 72886122) is (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is CC(C)Nc1ncc(C(=O)N2CC(O)C2)cn1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
The InChIKey is MZQLQBNUWXYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7(2)14-11-12-3-8(4-13-11)10(17)15-5-9(16)6-15/h3-4,7,9,16H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone?
(3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 72886122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).