N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C14H23N3O2 — CID 63558504

IUPACN-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1OC1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-15-7-12-13(19-11-5-6-18-9-11)8-16-14(17-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyNGWCKYCUKSDIDF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.88
Rot. Bonds6

About N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 63558504) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID63558504
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1OC1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-15-7-12-13(19-11-5-6-18-9-11)8-16-14(17-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyNGWCKYCUKSDIDF-UHFFFAOYSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 63558504) is N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1OC1CCOC1.
What is the InChIKey of N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is NGWCKYCUKSDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-15-7-12-13(19-11-5-6-18-9-11)8-16-14(17-12)10(2)3/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 63558504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).