N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine

C12H19N3O2 — CID 80654781

IUPACN,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCOCC2)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(13-2)15-12(14-9)8-17-10-3-5-16-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyVWGOMWVDKNEIIB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds4

About N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine

N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine (PubChem CID 80654781) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
PubChem CID80654781
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(COC2CCOCC2)n1
InChIInChI=1S/C12H19N3O2/c1-9-7-11(13-2)15-12(14-9)8-17-10-3-5-16-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyVWGOMWVDKNEIIB-UHFFFAOYSA-N
XLogP1.52
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine (CID 80654781) is N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine is CNc1cc(C)nc(COC2CCOCC2)n1.
What is the InChIKey of N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine?
The InChIKey is VWGOMWVDKNEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-11(13-2)15-12(14-9)8-17-10-3-5-16-6-4-10/h7,10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine?
N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(oxan-4-yloxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 80654781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).