N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine

C12H19N3O2 — CID 71996255

IUPACN-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
SMILESc1cnc(NCCCOC2CCOCC2)nc1
InChIInChI=1S/C12H19N3O2/c1-5-13-12(14-6-1)15-7-2-8-17-11-3-9-16-10-4-11/h1,5-6,11H,2-4,7-10H2,(H,13,14,15)
InChIKeyUKHMFJFZCMXZLH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.47
Rot. Bonds6

About N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine

N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine (PubChem CID 71996255) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
PubChem CID71996255
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine
SMILESc1cnc(NCCCOC2CCOCC2)nc1
InChIInChI=1S/C12H19N3O2/c1-5-13-12(14-6-1)15-7-2-8-17-11-3-9-16-10-4-11/h1,5-6,11H,2-4,7-10H2,(H,13,14,15)
InChIKeyUKHMFJFZCMXZLH-UHFFFAOYSA-N
XLogP1.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine (CID 71996255) is N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine is c1cnc(NCCCOC2CCOCC2)nc1.
What is the InChIKey of N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
The InChIKey is UKHMFJFZCMXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-13-12(14-6-1)15-7-2-8-17-11-3-9-16-10-4-11/h1,5-6,11H,2-4,7-10H2,(H,13,14,15).
What are the key properties of N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine?
N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-4-yloxy)propyl]pyrimidin-2-amine is sourced from PubChem (CID 71996255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).