N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine

C12H19N3O — CID 79368820

IUPACN-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccncn1
InChIInChI=1S/C12H19N3O/c1-2-5-13-8-10-4-7-16-12(10)11-3-6-14-9-15-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3
InChIKeyQZRNMGFXVLDAPU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.55
Rot. Bonds5

About N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine

N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine (PubChem CID 79368820) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
PubChem CID79368820
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccncn1
InChIInChI=1S/C12H19N3O/c1-2-5-13-8-10-4-7-16-12(10)11-3-6-14-9-15-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3
InChIKeyQZRNMGFXVLDAPU-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine (CID 79368820) is N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine is CCCNCC1CCOC1c1ccncn1.
What is the InChIKey of N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is QZRNMGFXVLDAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-5-13-8-10-4-7-16-12(10)11-3-6-14-9-15-11/h3,6,9-10,12-13H,2,4-5,7-8H2,1H3.
What are the key properties of N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine?
N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79368820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).