4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine

C16H19N3O2 — CID 69228196

IUPAC4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cccc(OCC3CCOCC3)c2)n1
InChIInChI=1S/C16H19N3O2/c17-16-18-7-4-15(19-16)13-2-1-3-14(10-13)21-11-12-5-8-20-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,18,19)
InChIKeyGSEANZALUSQJBF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds4

About 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine

4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine (PubChem CID 69228196) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
PubChem CID69228196
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cccc(OCC3CCOCC3)c2)n1
InChIInChI=1S/C16H19N3O2/c17-16-18-7-4-15(19-16)13-2-1-3-14(10-13)21-11-12-5-8-20-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,18,19)
InChIKeyGSEANZALUSQJBF-UHFFFAOYSA-N
XLogP2.53
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine (CID 69228196) is 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine is Nc1nccc(-c2cccc(OCC3CCOCC3)c2)n1.
What is the InChIKey of 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is GSEANZALUSQJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-16-18-7-4-15(19-16)13-2-1-3-14(10-13)21-11-12-5-8-20-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2,(H2,17,18,19).
What are the key properties of 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine?
4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-ylmethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 69228196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).