N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C13H19N3O — CID 114206491

IUPACN-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(C2CCCO2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O/c1-9-10(7-14-11-4-5-11)8-15-13(16-9)12-3-2-6-17-12/h8,11-12,14H,2-7H2,1H3
InChIKeyXCKOGMYIJZFZPU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds4

About N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 114206491) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID114206491
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(C2CCCO2)ncc1CNC1CC1
InChIInChI=1S/C13H19N3O/c1-9-10(7-14-11-4-5-11)8-15-13(16-9)12-3-2-6-17-12/h8,11-12,14H,2-7H2,1H3
InChIKeyXCKOGMYIJZFZPU-UHFFFAOYSA-N
XLogP1.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-3-ylmethyl)pyrimidin-2-amine
CID 83179651
N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 114206879
5-(aminomethyl)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65330538
4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
CID 130494146
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
N-[[6-methyl-4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253535
N-[[4-methyl-2-(2-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 83186348
N-[[4-methyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206498
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 107379575
5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 114206491) is N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(C2CCCO2)ncc1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is XCKOGMYIJZFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-10(7-14-11-4-5-11)8-15-13(16-9)12-3-2-6-17-12/h8,11-12,14H,2-7H2,1H3.
What are the key properties of N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 233.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114206491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).