N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine

C12H17N3O — CID 65328671

IUPACN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(C2CCCO2)n1
InChIInChI=1S/C12H17N3O/c1-2-11(16-7-1)12-13-6-5-10(15-12)8-14-9-3-4-9/h5-6,9,11,14H,1-4,7-8H2
InChIKeyQEOMMZDLYRZOCO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.58
Rot. Bonds4

About N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine

N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine (PubChem CID 65328671) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
PubChem CID65328671
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)nc(C2CCCO2)n1
InChIInChI=1S/C12H17N3O/c1-2-11(16-7-1)12-13-6-5-10(15-12)8-14-9-3-4-9/h5-6,9,11,14H,1-4,7-8H2
InChIKeyQEOMMZDLYRZOCO-UHFFFAOYSA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine (CID 65328671) is N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)nc(C2CCCO2)n1.
What is the InChIKey of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
The InChIKey is QEOMMZDLYRZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-11(16-7-1)12-13-6-5-10(15-12)8-14-9-3-4-9/h5-6,9,11,14H,1-4,7-8H2.
What are the key properties of N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine?
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine has a molecular weight of 219.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65328671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).