N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine

C13H21N3O2 — CID 114108395

IUPACN-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCOC(C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)18-12-4-6-14-13(16-12)15-11-5-7-17-10(3)8-11/h4,6,9-11H,5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyIIPXRNUZUYGVIN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds4

About N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine

N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 114108395) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID114108395
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NC2CCOC(C)C2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)18-12-4-6-14-13(16-12)15-11-5-7-17-10(3)8-11/h4,6,9-11H,5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyIIPXRNUZUYGVIN-UHFFFAOYSA-N
XLogP2.24
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-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-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine (CID 114108395) is N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NC2CCOC(C)C2)n1.
What is the InChIKey of N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is IIPXRNUZUYGVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)18-12-4-6-14-13(16-12)15-11-5-7-17-10(3)8-11/h4,6,9-11H,5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine?
N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 114108395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).