N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C15H25N3O2 — CID 115975318

IUPACN-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10(2)20-13-8-11(3)16-14(18-13)17-12-6-7-19-15(4,5)9-12/h8,10,12H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyAXIQKFXZADJGIK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975318) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115975318
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C15H25N3O2/c1-10(2)20-13-8-11(3)16-14(18-13)17-12-6-7-19-15(4,5)9-12/h8,10,12H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyAXIQKFXZADJGIK-UHFFFAOYSA-N
XLogP2.94
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 115975318) is N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is AXIQKFXZADJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)20-13-8-11(3)16-14(18-13)17-12-6-7-19-15(4,5)9-12/h8,10,12H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 279.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).