6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine

C15H16ClN3O — CID 133474252

IUPAC6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
SMILESClc1cncc(NC2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C15H16ClN3O/c16-14-9-17-10-15(19-14)18-12-6-7-20-13(8-12)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,18,19)
InChIKeyPRMKPLNLGCXBPA-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine

6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine (PubChem CID 133474252) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
PubChem CID133474252
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
SMILESClc1cncc(NC2CCOC(c3ccccc3)C2)n1
InChIInChI=1S/C15H16ClN3O/c16-14-9-17-10-15(19-14)18-12-6-7-20-13(8-12)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,18,19)
InChIKeyPRMKPLNLGCXBPA-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
CID 133474083
4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
CID 82729405
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
3-cyclopropyl-N-(2-phenyloxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 133474148
4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
CID 133474166
N-(2-phenyloxan-4-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 133474028
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
CID 133475832
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
3-(4-methylphenyl)-N-(2-phenyloxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 133474067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine (CID 133474252) is 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine is Clc1cncc(NC2CCOC(c3ccccc3)C2)n1.
What is the InChIKey of 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine?
The InChIKey is PRMKPLNLGCXBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-9-17-10-15(19-14)18-12-6-7-20-13(8-12)11-4-2-1-3-5-11/h1-5,9-10,12-13H,6-8H2,(H,18,19).
What are the key properties of 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine?
6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine is sourced from PubChem (CID 133474252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).