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

C14H21N3O — CID 114206879

IUPACN-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCCO2)nc1C1CC1
InChIInChI=1S/C14H21N3O/c1-2-15-8-11-9-16-14(12-4-3-7-18-12)17-13(11)10-5-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyDIMFYTBURZRBLJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.32
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 114206879) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID114206879
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C2CCCO2)nc1C1CC1
InChIInChI=1S/C14H21N3O/c1-2-15-8-11-9-16-14(12-4-3-7-18-12)17-13(11)10-5-6-10/h9-10,12,15H,2-8H2,1H3
InChIKeyDIMFYTBURZRBLJ-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114206491
5-(aminomethyl)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65330538
N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145817
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
CID 65328893
4-(bromomethyl)-5-methyl-2-(oxolan-2-yl)pyrimidine
CID 130494146
2-(oxolan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740598
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]-N-ethylpropan-1-amine
CID 65328505
N-[(5-cyclopropyl-2-pyridinyl)methyl]ethanamine
CID 163383215
N,4-dicyclopropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 114206896

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine (CID 114206879) is N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(C2CCCO2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is DIMFYTBURZRBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-8-11-9-16-14(12-4-3-7-18-12)17-13(11)10-5-6-10/h9-10,12,15H,2-8H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(oxolan-2-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 114206879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).