4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine

C16H19N3O2 — CID 124595523

IUPAC4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyBGIUNZIIMMATQA-KGLIPLIRSA-N
MW285.35 g/mol
LogP2.82
Rot. Bonds4

About 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine

4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine (PubChem CID 124595523) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
PubChem CID124595523
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyBGIUNZIIMMATQA-KGLIPLIRSA-N
XLogP2.82
TPSA56.27 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]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 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine (CID 124595523) is 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine is COc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1.
What is the InChIKey of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The InChIKey is BGIUNZIIMMATQA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1.
What are the key properties of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 124595523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).